6N3I
Crystal structure of a double Trp XylE mutants (G58W/L315W)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.076, 95.482, 106.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.597 - 3.690 |
| R-factor | 0.293 |
| Rwork | 0.291 |
| R-free | 0.32960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gbz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.153 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.830 |
| High resolution limit [Å] | 3.690 | 3.700 |
| Number of reflections | 10052 | |
| <I/σ(I)> | 17.8 | 2.4 |
| Completeness [%] | 98.3 | 99.5 |
| Redundancy | 5.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M NaCl, 0.1 M Li2SO4, 0.1 M MES pH6.5, 30% PEG400 (v/v) |
