2XGA
MTSL spin-labelled Shigella Flexneri Spa15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2009-11-30 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.980, 50.380, 57.680 |
| Unit cell angles | 90.00, 117.03, 90.00 |
Refinement procedure
| Resolution | 51.380 - 2.300 |
| R-factor | 0.22574 |
| Rwork | 0.224 |
| R-free | 0.26375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ry9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.284 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0050) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.380 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.170 | 0.730 |
| Number of reflections | 19266 | |
| <I/σ(I)> | 4.4 | 2 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 100 MM GUANIDINIUM CHLORIDE, 100 MM MES PH 6.0, 50 MM AMMONIUM SULPHATE, 5% ETHYLENE GLYCOL |
