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 |
