4XDD
Apo [FeFe]-Hydrogenase CpI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-22 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.057, 71.807, 103.308 |
Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
Resolution | 38.963 - 1.599 |
R-factor | 0.1449 |
Rwork | 0.144 |
R-free | 0.16580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c8y |
RMSD bond length | 0.006 |
RMSD bond angle | 0.952 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.599 | 1.599 |
Rmerge | 0.052 | 0.560 |
Number of reflections | 172056 | |
<I/σ(I)> | 36.8 | 3.2 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG4000, MgCl |