2RAQ
Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus. Northeast Structural Genomics Consortium target TT205
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 | 2007-06-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 113.569, 113.569, 114.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.580 - 3.110 |
| R-factor | 0.21871 |
| Rwork | 0.216 |
| R-free | 0.28020 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.774 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.580 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.085 | 0.313 |
| Number of reflections | 25673 | |
| <I/σ(I)> | 26.13 | 6.13 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 7.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 7.5 | 291 | Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM DTT. Reservoir solution: 100 mM HEPES pH 7.5, 18% PEG 400, 200 mM CaCl2, 3% 1,6-Hexanediol, MICROBATCH UNDER OIL, temperature 291K |
