6KCK
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with pterin and p-hydroxybenzoate
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 | 2013-11-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.494, 137.219, 139.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.2011 |
| Rwork | 0.196 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jwr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.421 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
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 | 0.036 | 0.018 | 0.329 |
| Rmeas | 0.041 | 0.020 | 0.372 |
| Rpim | 0.019 | 0.009 | 0.169 |
| Total number of observations | 308938 | ||
| Number of reflections | 66864 | 6903 | 5978 |
| <I/σ(I)> | 20.4 | ||
| Completeness [%] | 97.3 | 95.8 | 88.3 |
| Redundancy | 4.6 | 4.4 | 4.5 |
| CC(1/2) | 0.999 | 0.938 |
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 |
