4WX0
UndA complexed with beta-hydroxydodecanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 67.410, 73.990, 142.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.750 - 1.700 |
R-factor | 0.13907 |
Rwork | 0.137 |
R-free | 0.18454 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.378 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.750 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 75678 | |
<I/σ(I)> | 14.5 | 1.1 |
Completeness [%] | 95.8 | 70.9 |
Redundancy | 8.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES, 1.8 M ammonium sulfate, 0.2 mM iron(II) ammonium sulfate, pH 6.5-7.0 |