6JWZ
Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S triple mutant with SDX-DHP
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 | 2013-03-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.198, 136.826, 138.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.570 - 2.950 |
R-factor | 0.2003 |
Rwork | 0.194 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jwq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.304 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.060 |
High resolution limit [Å] | 2.950 | 6.340 | 2.950 |
Rmerge | 0.056 | 0.030 | 0.383 |
Total number of observations | 178346 | ||
Number of reflections | 40148 | 4213 | 3814 |
<I/σ(I)> | 13.7 | ||
Completeness [%] | 98.7 | 97.9 | 95.9 |
Redundancy | 4.4 | 4.6 | 3.9 |
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 |