3EMZ
Crystal structure of xylanase XynB from Paenibacillus barcinonensis complexed with a conduramine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2007-11-30 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.022, 79.721, 91.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.850 - 2.080 |
| R-factor | 0.23 |
| Rwork | 0.216 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3emc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.268 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.050 | 2.080 |
| Rmerge | 0.100 | 0.590 |
| Number of reflections | 20741 | |
| <I/σ(I)> | 7.154 | 1.6 |
| Completeness [%] | 97.0 | 85 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 35 % (v/v) MPD, 17 % (w/v), 100mM tris, 10mM inhibitor , VAPOR DIFFUSION, temperature 298K |
