3U4G
The Structure of CobT from Pyrococcus horikoshii
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-06 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97918, 0.97953 |
Spacegroup name | P 64 |
Unit cell lengths | 82.751, 82.751, 84.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.1708 |
Rwork | 0.169 |
R-free | 0.21560 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.710 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.071 | 0.057 | 0.664 |
Number of reflections | 25516 | ||
<I/σ(I)> | 11.5 | ||
Completeness [%] | 98.1 | 92.9 | 99.2 |
Redundancy | 12.2 | 11.9 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 0.2M Amonium Sulfate, 0.1M Sodium Acetate, pH 4.6, 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 294K |