5LNI
XenA - oxidized - Y183F variant in complex with 7-hydroxycoumarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-03 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9180 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.760, 83.410, 156.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.372 - 1.133 |
R-factor | 0.1185 |
Rwork | 0.118 |
R-free | 0.14050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l5l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.395 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.160 | |
High resolution limit [Å] | 1.130 | 5.070 | 1.130 |
Rmerge | 0.058 | 0.042 | 0.423 |
Number of reflections | 135813 | ||
<I/σ(I)> | 13.64 | 43.32 | 3.08 |
Completeness [%] | 96.9 | 98.3 | 90.4 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1.4 M ammonium sulfate, 0.1 M HEPES/NaOH pH7.5 |