4IUD
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form with ascorbate - partly reduced state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-17 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.775, 95.795, 120.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.420 - 1.450 |
| R-factor | 0.1361 |
| Rwork | 0.135 |
| R-free | 0.16484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.367 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.420 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.061 | 0.699 |
| Number of reflections | 150757 | |
| <I/σ(I)> | 17.1 | 2.1 |
| Completeness [%] | 99.5 | 96.3 |
| Redundancy | 6.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 282 | 20-30% PEG3350, 100 mM Bis-Tris methane, pH 5.5, crystal soaked in ascorbate, VAPOR DIFFUSION, SITTING DROP, temperature 282K |
