3ZIT
Crystal structure of the thioredoxin-like protein BC3987 mutant T8A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-20 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 24.410, 99.090, 25.160 |
Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
Resolution | 24.780 - 1.180 |
R-factor | 0.14624 |
Rwork | 0.144 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zij |
RMSD bond length | 0.026 |
RMSD bond angle | 2.399 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.780 | 1.250 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.040 | 0.180 |
Number of reflections | 31318 | |
<I/σ(I)> | 13.1 | 4.9 |
Completeness [%] | 84.9 | 83.1 |
Redundancy | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES PH 7.5, 50 MM MGCL2 AND 30 % (W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 550 |