3RIV
The Crystal Structure of Leishmania major Peroxidase
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 | 2010-05-15 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.601, 77.187, 156.022 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.464 - 1.760 |
R-factor | 0.17097 |
Rwork | 0.169 |
R-free | 0.20876 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.399 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | DM |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.464 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.074 | 0.180 |
Number of reflections | 56061 | |
<I/σ(I)> | 33.22 | 6.01 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG3350, potassium chloride, glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |