2B3S
structure of the DSBA mutant (P31G-C33A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-17 |
| Detector | ADSC |
| Spacegroup name | P 32 |
| Unit cell lengths | 56.310, 56.310, 108.204 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.820 - 1.960 |
| R-factor | 0.21598 |
| Rwork | 0.214 |
| R-free | 0.25685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u3a |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.253 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.820 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 27226 | |
| <I/σ(I)> | 13 | 2.5 |
| Completeness [%] | 98.9 | 98.8 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 400, Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.50 |
