2QTI
Crystal structure of the UPF0352 protein SO_2176 from Shewanella oneidensis. NESG target SoR77.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97913 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 50.576, 50.576, 62.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.320 - 2.300 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.23200 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.527 |
Number of reflections | 7182 | |
<I/σ(I)> | 41.6 | 4.47 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 12.7 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH UNDER OIL | 4 | 291 | 40% PEG 1000, 0.1M Ammonium phosphate, 0.1M Sodium citrate pH 4.0, MICROBATCH UNDER OIL, temperature 291.0K |