4GED
Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 149.750, 149.750, 36.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.990 - 1.840 |
| R-factor | 0.1856 |
| Rwork | 0.185 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 3RIV 4dy9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.400 | 1.930 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.101 | 1.411 |
| Number of reflections | 36729 | |
| <I/σ(I)> | 12.4 | 0.6 |
| Completeness [%] | 99.2 | 95.8 |
| Redundancy | 10 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 32-33% pentaerythritol ethoxylate, 4% acetone, 40 mM Potassium Phosphate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
