4D73
X-ray structure of a peroxiredoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.419, 77.366, 109.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.400 - 1.800 |
| R-factor | 0.1537 |
| Rwork | 0.152 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xiy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.208 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.400 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 157758 | |
| <I/σ(I)> | 12.2 | 2.6 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PFAOPL109M WAS CRYSTALLIZED BY SITTING DROP VAPOR DIFFUSION AT 277 K WITH A RESERVOIR COMPOSITION OF 0.1 M SODIUM CITRATE PH 5.6, 13 % W/V PEG 4000, AND 18% V/V 2-PROPANOL. CRYSTALLIZATION DROPS CONTAINED 250 NL 15 MG/ML PFAOPL109M MIXED WITH 500 NL RESERVOIR SOLUTION. |
