4CSB
Structure of the Virulence-Associated Protein VapD from the intracellular pathogen Rhodococcus equi.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 142.844, 142.844, 142.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.470 - 1.900 |
| R-factor | 0.16077 |
| Rwork | 0.159 |
| R-free | 0.19078 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.141 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.500 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.830 |
| Number of reflections | 10376 | |
| <I/σ(I)> | 21 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.9 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PROTEIN:20 MG ML-1 VAPD-CORE IN 20 MM HEPES PH 7.5, 500 MM NACL RESERVOIR: 2.2M AMMONIUM SULPHATE, 0.2M SODIUM THIOCYANATE, 0.1% WV-1 BETA-D-OCTYL GLUCOSIDE |
