3UMA
Crystal structure of a hypothetical peroxiredoxin protein frm Sinorhizobium meliloti
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.063, 113.063, 98.823 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.960 - 2.200 |
R-factor | 0.21428 |
Rwork | 0.213 |
R-free | 0.24060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wfc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.223 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 | 0.388 |
Number of reflections | 37257 | |
<I/σ(I)> | 7.6 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.9 | 19.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.0M Ammonium Sulfate, 0.1M HEPES, PEG 400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |