3RGW
Crystal structure at 1.5 A resolution of an H2-reduced, O2-tolerant hydrogenase from Ralstonia eutropha unmasks a novel iron-sulfur cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.091, 95.646, 119.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.570 - 1.500 |
R-factor | 0.14035 |
Rwork | 0.140 |
R-free | 0.15293 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wul |
RMSD bond length | 0.010 |
RMSD bond angle | 1.267 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER (& CNS (SIMULATED ANNEALING)) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.570 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.088 | 0.434 |
Number of reflections | 126968 | |
<I/σ(I)> | 11.2 | 3.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 282 | 20-30% polyethylene glycol 3350, 100 mM Bis-(2-hydroxy-ethyl)-amino-tris(hydroxymethyl)-methane buffer, pH 5.5-6.5, VAPOR DIFFUSION, SITTING DROP, temperature 282K |