4H6H
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B(4-85)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-03-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.972 |
Spacegroup name | P 32 |
Unit cell lengths | 84.525, 84.525, 72.916 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.262 - 2.502 |
R-factor | 0.2236 |
Rwork | 0.222 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t49 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.094 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.390 | 2.590 |
High resolution limit [Å] | 2.500 | 3.150 | 2.500 |
Rmerge | 0.262 | 0.413 | |
Number of reflections | 17906 | ||
<I/σ(I)> | 2.1 | ||
Completeness [%] | 87.6 | 99.7 | 45.8 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 18mg/ml protein sample stored in 10mM Tris (pH 7.4), 50mM NaCl; Crystallization condition: 0.1M Tris (pH 8.5), 8% PEG 8k. Crystals appeared in 1-3 days, VAPOR DIFFUSION, HANGING DROP, temperature 277K |