6JWQ
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.175, 137.224, 139.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.2106 |
Rwork | 0.205 |
R-free | 0.25740 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.496 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CRANK |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.056 | 0.018 | 0.380 |
Total number of observations | 307040 | ||
Number of reflections | 65642 | 7015 | 5560 |
<I/σ(I)> | 15.3 | ||
Completeness [%] | 97.3 | 99.1 | 83.1 |
Redundancy | 4.7 | 4.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 9 | 298 | 0.1 M bicine buffer pH 9.0, 0.5-0.6 M Ca acetate and 20%w/v PEG4000 |