4BIG
Crystal structure of the conserved staphylococcal antigen 1B, Csa1B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.150, 73.420, 46.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.224 - 2.274 |
| R-factor | 0.2155 |
| Rwork | 0.213 |
| R-free | 0.25490 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.112 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (AUTOSOL) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.340 | 2.400 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.090 | 0.360 |
| Number of reflections | 11438 | |
| <I/σ(I)> | 2 | 5.3 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 9.7 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 37% MPD_P1K_P3350, 0.1M MORPHEUS BUFFER 3, 10% MORPHEUS ALCOHOLS (CONDITION D12 OF MORPHEUS SCREEN FROM MOLECULAR DIMENSIONS), pH 8.5 |
