3IP3
Structure of putative oxidoreductase (TM_0425) from Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 118.009, 94.181, 142.852 |
Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.140 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24200 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.295 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
High resolution limit [Å] | 2.140 | 4.630 | 2.140 |
Rmerge | 0.081 | 0.055 | 0.674 |
Number of reflections | 170354 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.7 | 99.3 | 99.3 |
Redundancy | 5 | 5.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 25% PEG 3350, 0.2M NaCl2, Vapor diffusion, Sitting drop, temperature 298K |