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 |