1U3A
mutant DsbA
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 | 2004-06-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.956, 82.282, 113.910 |
| Unit cell angles | 90.00, 98.74, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.000 |
| R-factor | 0.216 |
| Rwork | 0.209 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ti1 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.723 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.316 |
| Number of reflections | 53543 | |
| <I/σ(I)> | 5.3 | 2.3 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 281 | PEG-MME550, Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K, pH 6.50 |
