3R67
Crystal structure of a putative glycosidase (BT_4094) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.30 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-21 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.90497,0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.920, 101.650, 86.560 |
| Unit cell angles | 90.00, 111.63, 90.00 |
Refinement procedure
| Resolution | 29.811 - 2.300 |
| R-factor | 0.1546 |
| Rwork | 0.152 |
| R-free | 0.20160 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | SHELX |
| Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.811 | 29.811 | 2.360 |
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.051 | 0.590 | |
| Total number of observations | 2519 | 17056 | |
| Number of reflections | 60752 | ||
| <I/σ(I)> | 7.3 | 17 | 2.4 |
| Completeness [%] | 100.0 | 95.8 | 100 |
| Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277 | 0.2M MgFormate, 20.0% PEG-3350, No Buffer pH 5.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
