7T87
CRYSTAL STRUCTURE OF LEUKOCIDIN AB/CENTYRIN S17/FAB 214F COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-10-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.980, 173.740, 174.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.158 - 3.000 |
R-factor | 0.1983 |
Rwork | 0.196 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tw1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.526 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.158 | 49.158 | 3.080 |
High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
Rmerge | 0.150 | 0.038 | 0.993 |
Rmeas | 0.170 | 0.044 | 1.131 |
Total number of observations | 106449 | ||
Number of reflections | 27208 | 327 | 1888 |
<I/σ(I)> | 10.51 | 28.83 | 1.93 |
Completeness [%] | 95.0 | 88.4 | 90.5 |
Redundancy | 3.912 | 3.59 | 3.822 |
CC(1/2) | 0.991 | 0.998 | 0.616 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M MES pH 6.5, 26% PEG 3350, 0.2 M diammonium tartrate |