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 |