3DEC
Crystal structure of a glycosyl hydrolases family 2 protein from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.063, 211.075, 71.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.1871 |
Rwork | 0.184 |
R-free | 0.24312 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bga |
RMSD bond length | 0.014 |
RMSD bond angle | 1.511 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.146 | 0.436 |
Number of reflections | 29182 | |
<I/σ(I)> | 16 | 5.4 |
Completeness [%] | 96.0 | 88 |
Redundancy | 10 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 50% PEG MME 2000, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |