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 |
