3GTN
Crystal Structure of XynC from Bacillus subtilis 168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-04-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.338, 82.108, 96.648 |
| Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
| Resolution | 33.330 - 2.680 |
| R-factor | 0.239 |
| Rwork | 0.236 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.656 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.237 | 0.098 | |
| Number of reflections | 25003 | ||
| <I/σ(I)> | 4.733 | ||
| Completeness [%] | 96.4 | 99.6 | 97.8 |
| Redundancy | 3.4 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 294 | 0.2M sodium tartrate dibasic dihydrate, 20% PEG 3350, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
