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 |