4DSQ
Crystal structure of peroxiredoxin Ahp1 from Saccharomyces cerevisiae in oxidized form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.978, 130.624, 67.678 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 46.300 - 2.400 |
R-factor | 0.23789 |
Rwork | 0.236 |
R-free | 0.27096 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tp9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.249 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.174 | 0.442 |
Number of reflections | 25277 | |
<I/σ(I)> | 4.718 | 3.028 |
Completeness [%] | 97.2 | 98.9 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 25% polyethylene glycol monomethyl ether 2000, 0.2M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |