2QGQ
Crystal structure of TM_1862 from Thermotoga maritima. Northeast Structural Genomics Consortium target VR77
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 |
| Unit cell lengths | 88.620, 88.649, 96.039 |
| Unit cell angles | 89.98, 90.03, 89.91 |
Refinement procedure
| Resolution | 39.670 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25100 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| 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] | 39.670 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.066 | 0.360 |
| Number of reflections | 384919 | |
| <I/σ(I)> | 14.2 | 3.54 |
| Completeness [%] | 96.6 | 96 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 10 | 291 | Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM Sodium chloride, 20 micro-g/ml Subtilisin, 5 mM DTT. Reservoir solution: 100 mM CAPS pH 10.0, 40% PEG 4000, 100 mM Sodium thiosulfate, MICROBATCH UNDER OIL, temperature 291K |
