1TE1
Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97850 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.748, 98.748, 112.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.21288 |
| Rwork | 0.208 |
| R-free | 0.27091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ukr PDB ENTRY 1OMO |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.075 | 0.427 |
| Number of reflections | 19734 | |
| <I/σ(I)> | 8.5 | 1.9 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, ammonium sulfate, 1,2,3-heptanetriol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
