2PJS
Crystal structure of Atu1953, protein of unknown function
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-17 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97921, 0.97941, 0.97154 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.847, 61.485, 54.383 |
Unit cell angles | 90.00, 92.57, 90.00 |
Refinement procedure
Resolution | 27.170 - 1.850 |
R-factor | 0.19593 |
Rwork | 0.194 |
R-free | 0.23800 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.579 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.870 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.072 | 0.255 |
Number of reflections | 16839 | |
<I/σ(I)> | 39.27 | 6.64 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.9 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 1M Na acetate, 50mM Cd sulfate, 0.21M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |