3HD8
Crystal structure of the Triticum aestivum xylanase inhibitor-IIA in complex with bacillus subtilis xylanase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.811 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.351, 60.300, 134.187 |
Unit cell angles | 90.00, 101.49, 90.00 |
Refinement procedure
Resolution | 38.520 - 2.390 |
R-factor | 0.22601 |
Rwork | 0.223 |
R-free | 0.27459 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1T6E for chains A and C; 1C5H for the chains B and D |
RMSD bond length | 0.027 |
RMSD bond angle | 2.237 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 45604 | |
<I/σ(I)> | 7.7 | 3.8 |
Completeness [%] | 97.5 | 97.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 18% (w/v) polyethylene glycol 4000, 0.18M ammonium sulfate, 0.1M sodium acetate buffer , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |