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 |
