1OM0
crystal structure of xylanase inhibitor protein (XIP-I) from wheat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 58.475, 58.475, 191.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 * - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hvm |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 1.340 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.074 * | 0.245 * |
| Number of reflections | 31670 | |
| <I/σ(I)> | 11.2 | 2.3 |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 * | 20 * | PEG 4000, LiCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.6 (mg/ml) | |
| 2 | 1 | drop | MES | 50 (mM) | pH5.5 |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 4 | 1 | reservoir | PEG4000 | 28 (%) | |
| 5 | 1 | reservoir | 0.2 (M) |
