4G5A
Crystal structure of a putative member of duf 3244 protein family (BT_1867) from Bacteroides thetaiotaomicron VPI-5482 at 1.69 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97949,0.97882 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.042, 93.255, 27.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.704 - 1.690 |
R-factor | 0.1791 |
Rwork | 0.178 |
R-free | 0.20860 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.704 | 1.750 | |
High resolution limit [Å] | 1.690 | 3.630 | 1.690 |
Rmerge | 0.035 | 0.017 | 0.458 |
Rmeas | 0.047 | 0.022 | 0.611 |
Total number of observations | 90460 | ||
Number of reflections | 25699 | 4507 | 4653 |
<I/σ(I)> | 13.99 | 38.4 | 1.9 |
Completeness [%] | 95.1 | 91.2 | 96.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.095M sodium citrate pH 5.6, 19% 2-propanol, 5% glycerol, 19% polyethylene glycol 4000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |