4UCQ
Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-02 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.800, 99.900, 183.300 |
| Unit cell angles | 90.00, 91.90, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.600 |
| R-factor | 0.1999 |
| Rwork | 0.198 |
| R-free | 0.24133 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.599 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.070 | 0.360 |
| Number of reflections | 70368 | |
| <I/σ(I)> | 13 | 3.4 |
| Completeness [%] | 99.2 | 97.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | VAPOR DIFFUSION, PH 6.3, 293K; PEG6000, MES, UNDER AIR |
