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 |
