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 |
