4CIT
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-07 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.800, 84.400, 117.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.010 - 1.800 |
| R-factor | 0.14164 |
| Rwork | 0.140 |
| R-free | 0.18034 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.935 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.440 |
| Number of reflections | 198448 | |
| <I/σ(I)> | 10.91 | 2.74 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 1 MICROL OF ENZYME AND 0.5 MICROL OF RESERVOIR SOLUTION CONTAINING 23 % PEG 1150, 100 MM PHOSPHATE/CITRATE PH 4.2 AND 2 % GLYCEROL |
