3A3T
The oxidoreductase NmDsbA1 from N. meningitidis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-01-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.208, 59.301, 126.522 |
| Unit cell angles | 90.00, 108.92, 90.00 |
Refinement procedure
| Resolution | 48.060 - 2.100 |
| R-factor | 0.19235 |
| Rwork | 0.189 |
| R-free | 0.24618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2znm |
| RMSD bond length | 0.029 |
| RMSD bond angle | 1.071 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.320 |
| Number of reflections | 67649 | |
| <I/σ(I)> | 25 | 2.2 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 35% PEG 4000, 0.1M MES pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
