3QZ4
Crystal structure of an Endo-1,4-beta-xylanase D (BT_3675) from Bacteroides thetaiotaomicron VPI-5482 at 1.74 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-25 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.95369,0.97915,0.97901 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.163, 99.252, 65.003 |
| Unit cell angles | 90.00, 97.92, 90.00 |
Refinement procedure
| Resolution | 29.865 - 1.740 |
| R-factor | 0.1616 |
| Rwork | 0.159 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 29.865 | 29.865 | 1.790 |
| High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
| Rmerge | 0.043 | 0.825 | |
| Total number of observations | 3040 | 20027 | |
| Number of reflections | 65872 | ||
| <I/σ(I)> | 8.9 | 24.2 | 1.6 |
| Completeness [%] | 100.0 | 98.3 | 100 |
| Redundancy | 4.2 | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20.40% polyethylene glycol 8000, 0.1M HEPES pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
