7PXX
The crystal structure of Leishmania major Pteridine Reductase 1 in complex with substrate folic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.900, 103.750, 136.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.493 - 1.810 |
R-factor | 0.2291 |
Rwork | 0.227 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rxc |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.880 | 1.910 |
High resolution limit [Å] | 1.810 | 1.810 |
Number of reflections | 123220 | 17721 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.1 | |
CC(1/2) | 0.996 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein solution: 12.5 mg/mL in 20 mM Sodium Acetate pH 5.3 and 10 mM DTT; Crystallization buffer: 12% PEG4600, 100 mM Sodium Acetate pH 5.5 and 120-160 mM Calcium Acetate |