1XCC
1-Cys peroxidoxin from Plasmodium Yoelli
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97939, 0.97952, 0.96415 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.390, 156.842, 178.075 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.22600 |
Structure solution method | MAD |
RMSD bond length | 0.022 |
RMSD bond angle | 1.832 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.397 | |
Number of reflections | 53397 | |
<I/σ(I)> | 24 | 3.3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 293 | 22% Peg 3350, 0.1M Bis-Tris pH 5.5, 0.2M Lithium Sulfate, 5% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.50 |