4WWJ
UndA, an oxygen-activating, non-heme iron dependent desaturase/decarboxylase
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 | 2013-07-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.999 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 141.380, 218.440, 67.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.690 - 1.900 |
R-factor | 0.14724 |
Rwork | 0.145 |
R-free | 0.19577 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oql |
RMSD bond length | 0.021 |
RMSD bond angle | 1.998 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.690 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 82274 | |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.9 | 99.99 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 0.1 M MES, 1.8 M ammonium sulfate, 0.2 mM iron(II) ammonium sulfate, pH 6.5-7.0 |