Table 4 Data collection and refinement statistics* for Y74F and C298S mutants of E. coli Trpase.

Data collection

Space group

F222

F222

Wavelength

1.5Å

1.5Å

Unit cell

a = 118.7Å

a = 120.5Å

b = 120.2Å

b = 118.8Å

c = 171.7Å

c = 171.5Å

α = 90°

α = 90°

β = 90°

β = 90°

γ = 90°

γ = 90°

Resolution

500.0-1.90 Å

500.0-1.98 Å

Highest resolution shell

1.97-1.90 Å

2. 05-1.98 Å

Total number of measured reflections

Total number of independent reflections

155,699

47,181

186,657

42,496

Completeness (%)

97.6% (97.8%)

99.3% (96.5%)

Rsym

0.054 (0.410)

0.117 (0.456)

I/σ (I)

19.0 (2.9)

12.7 (2.9)

Refinement

Resolution range (Å)

6.0-1.9

8.0-2.0

R (%)

19.14

21.48

R_free (%)

22.72

22.09

Protein atoms

3682

3678

Solvent atoms

595

519

Mg²⁺ atoms

1

1

Cl^- atoms

1

1

RMS deviations from restraints target value

Bond length (Å)

0.005

0.006

Bond Angle (°)

1.21

1.22

Average B factor

(for protein atoms) (Ų)

28.8

28.9