3WSG
Reduced HcgD from Methanocaldococcus jannaschii with citrate
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 | 2012-08-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.270, 136.450, 160.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.655 - 1.996 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fyw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.181 |
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 | 2.100 | |
High resolution limit [Å] | 1.996 | 12.000 | 2.000 |
Rmerge | 0.082 | 0.023 | 0.851 |
Rmeas | 0.026 | 0.953 | |
Number of reflections | 141960 | 752 | 19087 |
<I/σ(I)> | 14 | 47.6 | 2.67 |
Completeness [%] | 99.6 | 96.3 | 99.6 |
Redundancy | 4.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 10%(w/v) PEG4000, 10%(v/v) 2-propanol, 0.1M sodium citrate, 5mM sodium dithionite, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |