5AN6
Crystal structure of Thermotoga maritima Csm2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 77.000, 77.000, 160.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.651 - 2.403 |
R-factor | 0.2119 |
Rwork | 0.210 |
R-free | 0.24880 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.009 |
RMSD bond angle | 1.111 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.130 | 0.840 |
Number of reflections | 21688 | |
<I/σ(I)> | 12.63 | 3.64 |
Completeness [%] | 98.3 | 94.9 |
Redundancy | 6.24 | 5.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 100MM SODIUM ACETATE PH 4.6 100MM CADMIUM CHLORIDE 21% PEG400 |