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) |
