6RP2
Threonine to Cysteine (T225C) variant of E coli hydrogenase-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.720, 97.520, 183.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.070 - 1.350 |
| R-factor | 0.14193 |
| Rwork | 0.141 |
| R-free | 0.15926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.885 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.200 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.135 | 1.540 |
| Rpim | 0.037 | 0.550 |
| Number of reflections | 363874 | 17400 |
| <I/σ(I)> | 11.4 | 0.9 |
| Completeness [%] | 99.6 | 96 |
| Redundancy | 12.5 | 7.2 |
| CC(1/2) | 0.999 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 295 | 100 mM Bis-tris pH 5.9 200 mM LiSO4 150 mM NaCl 18-21% PEG 3350 |
