Table 1 Crystallographic data collection and refinement statistics

PDB Accession #

4NJ8

4NL9

Data collection

Location

UCLA

APS 24-ID-C

APS 24-ID-C

Space group

P4₁

P4₁

C222₁

Cell dimensions

a, b, c (Å)

71.62, 71.62, 33.40

71.89, 71.89, 33.54

47.70, 108.52, 101.74

α, β, γ (°)

90.0, 90.0, 90.0

90.0, 90.0, 90.0

90.0, 90.0, 90.0

Resolution (Å)

2.34

1.60

1.50

R _sym

0.118 (.850)

0.087 (.804)

0.069 (.417)

I/σI

13.70 (2.62)

20.11 (5.40)

14.83 (4.16)

CC_1/2

99.7 (74.0)

99.7 (91.7)

99.8 (89.9)

Completeness (%)

99.6 (95.2)

99.3 (99.3)

98.7 (96.9)

Redundancy

6.61 (5.84)

15.15 (15.01)

5.32 (4.94)

Phasing statistics

Number of sites

10

Mean figure of merit

SAD/after density modification

0.642/0.813

MapCC (SHELXE)

0.844

CC (%)

66.73

Refinement

Resolution (Å)

2.34

1.60

1.50

No. reflections

7333

22,797

42,203

R _work/ R _free

0.2709/0.3478

0.1975/0.2177

0.1798/0.2048

No. atoms

Protein

1030

1022

1952

Water

-

50

246

Magnesium

-

-

1

B-factors (Ų)

Protein

36.70

37.42

21.92

Water

-

38.73

28.94

R.m.s deviations

Bond lengths (Å)

0.011

0.006

0.005

Bond angles (º)

1.303

0.920

0.944