3F46
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9919 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 96.350, 96.350, 166.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.950 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3dag |
RMSD bond length | 0.016 |
RMSD bond angle | 1.599 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.700 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.064 | 0.701 |
Number of reflections | 28094 | 1987 |
<I/σ(I)> | 17.2 | 4.2 |
Completeness [%] | 96.9 | 95.8 |
Redundancy | 7.9 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 49% MPD, 100mM Tris-HCl, 50mM Ammonium dihydrogen phosphate, 1mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |