4HUJ
Crystal structure of a hypothetical protein SMa0349 from Sinorhizobium meliloti
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 | 2012-07-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.456, 79.487, 100.127 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.614 - 1.770 |
| R-factor | 0.20697 |
| Rwork | 0.206 |
| R-free | 0.23370 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.059 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.063 | 0.335 |
| Number of reflections | 46300 | |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 14.2 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2M Lithium sulfate, 0.1M TRIS, 30% PEG4000 and tert-Butanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
