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) |