4USZ
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.840, 85.870, 116.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.040 - 2.000 |
| R-factor | 0.16075 |
| Rwork | 0.158 |
| R-free | 0.20717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cit |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.024 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.100 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.310 |
| Number of reflections | 34478 | |
| <I/σ(I)> | 12.4 | 4.56 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | DROPS: 1 MICROL OF ENZYME AND % PEG 1150, 100 MM PHOSPHATE/CITRATE PH 4.2 AND 2 % GLYCEROL |
