4WWZ
UndA complexed with 2,3-dodecenoic 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 | 67.480, 74.160, 142.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.160 - 1.800 |
R-factor | 0.16133 |
Rwork | 0.158 |
R-free | 0.22534 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.337 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.160 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 63640 | |
<I/σ(I)> | 8.1 | |
Completeness [%] | 97.0 | 94.9 |
Redundancy | 6.7 | 4.9 |
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 |