1FVG
CRYSTAL STRUCTURE OF BOVINE PEPTIDE METHIONINE SULFOXIDE REDUCTASE
Experimental procedure
| Experimental method | MAD |
| 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 |
| Wavelength(s) | 0.9787,0.9788,0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 45.757, 76.883, 56.745 |
| Unit cell angles | 90.00, 109.21, 90.00 |
Refinement procedure
| Resolution | 53.580 - 1.600 |
| R-factor | 0.182 * |
| Rwork | 0.182 |
| R-free | 0.24200 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 15.924 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.500 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.038 | 0.171 |
| Total number of observations | 86018 * | |
| Number of reflections | 23472 | |
| <I/σ(I)> | 37.2 | |
| Completeness [%] | 95.8 | 93.9 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.4 * | 298 | dithiothreitol, PEG 8000, citrate, Na2HPO4, dimethyl sulfoxide, NaCl, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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 | DMSO | 6 (%) | |
| 7 | 1 | reservoir | citrate | 100 (mM) | can be replaced by sodium phosphate |
| 8 | 1 | reservoir | PEG8000 | 26-31 (%) |
