3EMQ
Crystal structure of xilanase XynB from Paenibacillus barcelonensis complexed with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2007-11-23 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.390, 79.640, 93.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.920 - 2.730 |
| Rwork | 0.208 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3emc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.290 |
| 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 | 2.730 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.103 | 0.650 |
| Number of reflections | 10038 | |
| <I/σ(I)> | 10.2 | 2.4 |
| Completeness [%] | 90.0 | 11 |
| Redundancy | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 35% (v/v) MPD, 17% (w/v) PEG 3350, 100 mM tris, 10mM inhibitor , VAPOR DIFFUSION, temperature 298K |
