4QDG
Crystal structure of a putative adhesin (BT2657) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution (PSI Community Target, Nakayama)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-01-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97937,0.95369 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.803, 102.324, 74.466 |
Unit cell angles | 90.00, 98.35, 90.00 |
Refinement procedure
Resolution | 42.349 - 2.200 |
R-factor | 0.1697 |
Rwork | 0.167 |
R-free | 0.21500 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.349 | 42.349 | 2.320 |
High resolution limit [Å] | 2.200 | 4.980 | 2.200 |
Rmerge | 0.094 | 0.045 | 0.735 |
Number of reflections | 32074 | 2833 | 4572 |
<I/σ(I)> | 10.01 | 24.9 | 1.6 |
Completeness [%] | 99.4 | 99.4 | 96.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.200M magnesium formate, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |