4HET
Crystal structure of a putative glycoside hydrolase (BT3745) from Bacteroides thetaiotaomicron VPI-5482 at 2.10 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-09 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 61 |
Unit cell lengths | 180.385, 180.385, 63.752 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.522 - 2.100 |
R-factor | 0.1797 |
Rwork | 0.178 |
R-free | 0.20730 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.611 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.522 | 29.522 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.055 | 0.838 | |
Total number of observations | 5413 | 38786 | |
Number of reflections | 69380 | ||
<I/σ(I)> | 11.4 | 12.2 | 2.4 |
Completeness [%] | 100.0 | 95.6 | 100 |
Redundancy | 7.6 | 6.8 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.20M magnesium nitrate, 20.00% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |