2NMU
Crystal structure of the hypothetical protein from Salmonella typhimurium LT2. Northeast Structural Genomics Consortium target StR127.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97900 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 78.871, 78.871, 44.256 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.140 - 1.800 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hx0 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.069 | 0.470 |
Number of reflections | 28283 | |
<I/σ(I)> | 26.3 | 4.6 |
Completeness [%] | 99.0 | 98.5 |
Redundancy | 16.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.8M K,Na-Tartrate, 0.1M Na-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |