3QC2
Crystal structure of a glycosyl hydrolase (BACOVA_03624) from Bacteroides ovatus at 2.30 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537,0.9795,0.9793 |
Spacegroup name | P 65 |
Unit cell lengths | 137.070, 137.070, 81.042 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.310 - 2.300 |
R-factor | 0.1864 |
Rwork | 0.184 |
R-free | 0.22410 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.234 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.310 | 2.380 | |
High resolution limit [Å] | 2.300 | 4.930 | 2.300 |
Rmerge | 0.117 | 0.042 | 0.705 |
Rmeas | 0.145 | 0.052 | 0.874 |
Total number of observations | 215276 | ||
Number of reflections | 38497 | 7650 | 6671 |
<I/σ(I)> | 8.84 | 22.5 | 1.53 |
Completeness [%] | 98.0 | 98.8 | 89.6 |
Redundancy | 5.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 40.0% polyethylene glycol 300, 0.1M phosphate-citrate pH 4.2, Additive: 0.003 M fructose, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |