1FVA
CRYSTAL STRUCTURE OF BOVINE METHIONINE SULFOXIDE REDUCTASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2000-04-21 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.710, 66.199, 62.137 |
| Unit cell angles | 90.00, 90.99, 90.00 |
Refinement procedure
| Resolution | 45.200 - 1.700 |
| R-factor | 0.207 * |
| Rwork | 0.207 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 18.190 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.200 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.034 | 0.225 |
| Total number of observations | 158892 * | |
| Number of reflections | 46997 | |
| <I/σ(I)> | 35.7 | |
| Completeness [%] | 97.7 | 84 |
| Redundancy | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 * | 4 * | NaCl, DTT, 1,4 butanediol, PEG 8000, citrate, Na2HPO4, pH 4.7-7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 30 (mM) | |
| 3 | 1 | drop | HEPES | 16 (mM) | |
| 4 | 1 | drop | 16 (mM) | ||
| 5 | 1 | drop | EDTA | 0.08 (mM) | |
| 6 | 1 | drop | 1,4-butanediol | 5 (%) | |
| 7 | 1 | reservoir | citrate | 100 (mM) | can be replaced by sodium phosphate |
| 8 | 1 | reservoir | PEG8000 | 21-25 (%) | |
| 9 | 1 | reservoir | 100 (mM) |
