Table 4 X-ray data collection and refinement statistics

   Data set

ZHX1 HD4 (OPPF_2265)

ZHX2 HD2 (derived from OPPF_2273)

   X-ray source

In House

ESRF-BM14

   Wavelength (Å)

1.541

0.976

   Space group

C 2

C 2

   Unit cell (a, b, c [Å])

64.90, 48.84, 49.32, β = 95.2°

96.71, 60.67, 27.71, β = 95.3°

   Resolution range (Å)

30.0 - 2.60(2.69-2.60)

30.0 - 2.70(2.80-2.70)

   Unique reflections

4674(453)

4459(449)

   Completeness (%)

99.7(99.1)

100(100)

   Redundancy

8.3(6.5)

5.6(5.6)

   Average I/σI)

24.3(5.5)

15.4(3.1)

   Rmerge

0.102(0.339)

0.111(0.451)

Refinement statistics:

   Resolution range (Å)

30.0 - 2.60

30.0-2.70

   No. of reflections(working/test)

4459/214

4214/240

   R-factor (R_work/R_free)

0.197/0.240

0.203/0.267

   No. of atoms (protein/water)

1172/44

938/24

   rms bond length deviation (Å)

0.006

0.006

   rms bond angle deviation (°)

0.7

0.9

   Mean B-factor (protein/water[Ų])

44/43

42/38