4Q3S
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 3 |
Unit cell lengths | 178.212, 178.212, 178.212 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.427 - 2.110 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q3p |
RMSD bond length | 0.004 |
RMSD bond angle | 0.839 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.3_1479)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.270 |
High resolution limit [Å] | 2.110 | 4.540 | 2.110 |
Rmerge | 0.106 | 0.075 | 0.757 |
Number of reflections | 106395 | ||
<I/σ(I)> | 14.7 | 35.1 | 2 |
Completeness [%] | 98.5 | 100 | 96.1 |
Redundancy | 9.3 | 22 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 0.1 M HEPES, pH 7.4, 12% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |