1BQ7
DSBA MUTANT P151A, ROLE OF THE CIS-PROLINE IN THE ACTIVE SITE OF DSBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 289 |
| Collection date | 1997-07-15 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.900, 190.700, 67.100 |
| Unit cell angles | 90.00, 111.90, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 22.400 * |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.078 | 0.475 |
| Total number of observations | 117916 * | |
| Number of reflections | 31364 | |
| <I/σ(I)> | 13.3 | 2.3 |
| Completeness [%] | 84.6 | 87.9 * |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 21 * | 25% PEG 8,000 100 MM NACL 100 MM SODIUM CACODYLATE, PH 6.5 10% DMSO DIFFUSION VAPOR AT ROOM TEMPERATURE, SEEDING |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 20-25 (%(w/v)) | |
| 2 | 1 | reservoir | MPD | 1 (%) | |
| 3 | 1 | reservoir | cacodylate | 0.1 (M) | |
| 4 | 1 | drop | MPD | 0.5 (%) | |
| 5 | 1 | drop | PEG8000 | 10-12.5 (%(w/v)) | |
| 6 | 1 | drop | cacodylate | 0.05 (M) | |
| 7 | 1 | drop | DsbA | 11 (mg/ml) |
