4H6I
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-02-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 66.539, 115.251, 79.573 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.741 - 3.091 |
R-factor | 0.2825 |
Rwork | 0.281 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | STARTING MODEL 3T49 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.449 |
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 | 50.000 | 3.210 |
High resolution limit [Å] | 3.093 | 6.670 | 3.091 |
Rmerge | 0.071 | 0.028 | 0.272 |
Number of reflections | 5479 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 93.2 | 97.8 | 61.4 |
Redundancy | 4.6 | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 16mg/ml protein sample stored in 10mM Tris (pH 7.4), 50mM NaCl; Crystallization conditions: 0.2M AmSO4, 30% PEG 8k. Crystals appear in 5-7d, VAPOR DIFFUSION, HANGING DROP, temperature 277K |