3BJQ
CRYSTAL STRUCTURE OF A PHAGE-RELATED PROTEIN (BB3626) FROM BORDETELLA BRONCHISEPTICA RB50 AT 2.05 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91840 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.390, 188.320, 105.150 |
Unit cell angles | 90.00, 106.60, 90.00 |
Refinement procedure
Resolution | 49.147 - 2.050 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.22700 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.399 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.147 | 49.147 | 2.080 |
High resolution limit [Å] | 2.050 | 4.470 | 2.050 |
Rmerge | 0.091 | 0.046 | 0.847 |
Number of reflections | 216795 | 21105 | 9184 |
<I/σ(I)> | 11.24 | 34.1 | 1.7 |
Completeness [%] | 99.7 | 99.7 | 99.3 |
Redundancy | 5.49 | 3.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.79 | 277 | NANODROP, 25.1% PEG 200, 5.0% PEG 3000, 0.1M MES pH 5.79, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | NANODROP, 30.0% PEG 200, 5.0% PEG 3000, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |