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 |
