3RIW
The Crystal Structure of Leishmania major Peroxidase mutant C197T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.819, 77.766, 160.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.426 - 2.370 |
| R-factor | 0.1814 |
| Rwork | 0.178 |
| R-free | 0.24056 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.460 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.426 | 2.420 |
| High resolution limit [Å] | 2.369 | 2.380 |
| Rmerge | 0.097 | 0.584 |
| Number of reflections | 23951 | |
| <I/σ(I)> | 17.15 | 3.08 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG3350, potassium chloride, calcium chloride, glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
