1H2R
THREE-DIMENSIONAL STRUCTURE OF NI-FE HYDROGENASE FROM DESULFIVIBRIO VULGARIS MIYAZAKI F IN THE REDUCED FORM AT 1.4 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 280 |
| Detector technology | IMAGE PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.440, 126.860, 66.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.400 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25400 |
| Structure solution method | D-FOURIER |
| Starting model (for MR) | 1h2a |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.960 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MLPHARE ((CCP4)) |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.460 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.048 | 0.380 |
| Total number of observations | 1453748 * | |
| Number of reflections | 155198 | |
| Completeness [%] | 91.6 | 85.8 * |
| Redundancy | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 7.4 * | Higuchi, Y., (1987) J.Biol.Chem., 262, 2823. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 40 (mg/ml) | |
| 2 | 1 | 1 | Tris-HCl | 25 (mM) | |
| 3 | 1 | 1 | 20 (mM) | ||
| 4 | 1 | 2 | PEG | 20 (%(w/v)) | |
| 5 | 1 | 2 | sodium citrate | 20 (%(w/v)) | |
| 6 | 1 | 2 | ammonium sulfate | 40 (%sat) | |
| 7 | 1 | 2 | ethanol | 40 (%(v/v)) | |
| 8 | 1 | 2 | MPD | 40 (%(v/v)) | or 1M NaCl |
