4JC0
Crystal structure of Thermotoga maritima holo RimO in complex with pentasulfide, Northeast Structural Genomics Consortium Target VR77
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.721, 86.948, 172.795 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.460 - 3.300 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qgq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.450 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.136 | 0.407 |
Number of reflections | 14135 | |
<I/σ(I)> | 13.71 | 2.34 |
Completeness [%] | 92.4 | 81.4 |
Redundancy | 4.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH UNDER OIL | 10 | 291 | Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM Sodium chloride, 20 mg/ml, 5 DTT, 10 equivalents FeCl3 and Na2S. Reservoir solution: 100 mM CAPS pH 10.0, 40% PEG 4000, 100 mM Sodium thiosulfate, MICROBATCH UNDER OIL, temperature 291K |