3WSD
Oxidized HcgD 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 | PIXEL |
Collection date | 2012-11-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.260, 136.150, 160.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.670 - 2.500 |
R-factor | 0.1764 |
Rwork | 0.174 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fyw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.029 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 | |
High resolution limit [Å] | 2.500 | 12.000 | 2.500 |
Rmerge | 0.099 | 0.026 | 0.629 |
Rmeas | 0.029 | 0.707 | |
Number of reflections | 72765 | 744 | 7999 |
<I/σ(I)> | 13.07 | 37.92 | 3.42 |
Completeness [%] | 99.5 | 95.9 | 99.5 |
Redundancy | 4.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 35%(v/v) MPD, 0.2M NaCl, 0.1M Tris-HCl, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |