3CYI
Crystal Structure of Human Sulfiredoxin (Srx) in Complex with ATP:Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 68.530, 68.530, 51.090 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.700 - 1.800 |
R-factor | 0.20247 |
Rwork | 0.201 |
R-free | 0.23111 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.766 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.700 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 12500 | |
<I/σ(I)> | 65.6 | 7.5 |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | MPD, sodium/potassium phosphate, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |