2V41
Crystal Structure of the C45S mutant of the Peroxiredoxin 6 of Arenicola Marina. Orthorhombic form
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 | 2006-07-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.110, 111.156, 229.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
R-factor | 0.18 |
Rwork | 0.177 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v2g |
RMSD bond length | 0.020 |
RMSD bond angle | 1.737 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.060 | 0.420 |
Number of reflections | 77362 | |
<I/σ(I)> | 15.2 | 3.3 |
Completeness [%] | 99.0 | 96.9 |
Redundancy | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | RESERVOIR : BIS TRIS 0.1 M PH 5.5 , PEG 3350 25%(W/V). DTT 0.001 M DROP 1UL PROTEIN AND 1 UL RESERVOIR |