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 |