1OC3
HUMAN PEROXIREDOXIN 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-01 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.195, 102.053, 145.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.000 |
R-factor | 0.223 |
Rwork | 0.221 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hd2 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.200 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.047 * | |
Total number of observations | 164737 * | |
Number of reflections | 38821 | |
<I/σ(I)> | 13.5 | 3.4 |
Completeness [%] | 96.9 | 95.2 * |
Redundancy | 4.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.3 | 291 * | PROTEIN WAS CRYSTALLIZED FROM 20% PEG 3350, 0.1 M SODIUM CITRATE BUFFER, PH 5.3, 1 MM DTT, 0.02 % (W/V) SODIUM AZIDE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 20 (%(w/v)) | |
2 | 1 | reservoir | sodium cirtate | 0.1 (M) | pH5.3 |
3 | 1 | reservoir | 1,4-dithio-DL-threitol | 1 (mM) | |
4 | 1 | reservoir | sodium azide | 0.02 (%(w/v)) | |
5 | 1 | drop | protein | 10 (mg/ml) |