3C8Y
1.39 Angstrom crystal structure of Fe-only hydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-3 |
Synchrotron site | SSRL |
Beamline | BL9-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-08-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.95364 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 110.750, 110.750, 103.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.390 |
Rwork | 0.132 |
R-free | 0.19400 |
Structure solution method | AB INITIO |
Starting model (for MR) | 1feh |
RMSD bond length | 0.011 |
RMSD bond angle | 0.029 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.900 | 1.450 |
High resolution limit [Å] | 1.390 | 1.390 |
Number of reflections | 121060 | |
<I/σ(I)> | 12.6 | 2.5 |
Completeness [%] | 93.5 | |
Redundancy | 5.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | capillary diffusion | 4.6 | 298 | 25% PEG 4000, 0.1M Sodium acetate (pH 4.6),0.1M Sodium sulfate, capillary diffusion, temperature 298K |