2B42
Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.890, 95.340, 69.310 |
| Unit cell angles | 90.00, 122.24, 90.00 |
Refinement procedure
| Resolution | 29.360 - 2.500 |
| R-factor | 0.18814 |
| Rwork | 0.183 |
| R-free | 0.23977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.425 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.360 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 18166 | |
| Completeness [%] | 88.1 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.22 M ammonium sulphate, 0.1 M sodium acetate buffer, 25 % (w/v) polyethylene glycol 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
