3G6I
Crystal structure of an outer membrane protein, part of a putative carbohydrate binding complex (bt_1022) from bacteroides thetaiotaomicron vpi-5482 at 1.93 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 | 2009-01-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97964, 0.97949 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.025, 75.025, 127.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 1.930 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.22300 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.370 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.970 | 48.970 | 2.000 |
High resolution limit [Å] | 1.930 | 4.150 | 1.930 |
Rmerge | 0.119 | 0.050 | 1.556 |
Number of reflections | 28120 | 3073 | 2766 |
<I/σ(I)> | 14.99 | 39.5 | 1.5 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.67 | 277 | NANODROP, 0.25M Lithium sulfate, 34.0% PEG 4000, 0.1M Tris-HCl pH 8.67, VAPOR DIFFUSION, SITTING DROP, temperature 277K |