3G7M
Structure of the thaumatin-like xylanase inhibitor TLXI
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 | 2006-04-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 104.019, 104.019, 30.047 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.210 - 2.910 |
| R-factor | 0.23948 |
| Rwork | 0.228 |
| R-free | 0.28613 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KWN |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.428 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.100 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 4255 | |
| <I/σ(I)> | 12.4 | 4.3 |
| Completeness [%] | 99.9 | 98.1 |
| Redundancy | 1.9 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.2M ammonium sulfate, 0.1M acetate buffer pH 4.6, 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
