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 |