4NAR
Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.903, 144.605, 49.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.023 - 2.388 |
| R-factor | 0.168 |
| Rwork | 0.165 |
| R-free | 0.22900 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.127 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.122 | 0.338 |
| Number of reflections | 18360 | |
| <I/σ(I)> | 22.8 | 4.7 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 9.9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch crystallization under oil | 4.6 | 291 | 30% PEG MME 2000, 0.2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, Microbatch crystallization under oil, temperature 291K |
