3U5R
Crystal structure of a hypothetical protein SMc02350 from Sinorhizobium meliloti 1021
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.657, 58.567, 85.476 |
| Unit cell angles | 82.65, 83.58, 66.29 |
Refinement procedure
| Resolution | 34.020 - 2.050 |
| R-factor | 0.18445 |
| Rwork | 0.182 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ywi |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.901 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.270 |
| Number of reflections | 59768 | |
| <I/σ(I)> | 13.2 | 5 |
| Completeness [%] | 97.9 | 96.5 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M Ammonium acetate, 0.1M tri sodium citrate pH 5.6, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
