4Q69
Crystal structure of a SusD homolog (BT2259) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.95369,0.97936,0.97918 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 135.124, 135.124, 139.567 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 89.672 - 2.500 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.19890 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.998 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.672 | 89.672 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.010 | 0.010 | |
Total number of observations | 3505 | 23643 | |
Number of reflections | 51369 | ||
<I/σ(I)> | 9 | 20.9 | 1.9 |
Completeness [%] | 100.0 | 98.1 | 100 |
Redundancy | 6.2 | 5.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M sodium citrate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |