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 |