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 |
