8DSR
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-18 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.710, 61.430, 143.980 |
Unit cell angles | 90.00, 90.77, 90.00 |
Refinement procedure
Resolution | 47.990 - 2.850 |
R-factor | 0.2385 |
Rwork | 0.234 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo structure 7ry7 minus pro domain |
RMSD bond length | 0.003 |
RMSD bond angle | 0.567 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19 dev 4035) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.920 |
High resolution limit [Å] | 2.850 | 12.750 | 2.850 |
Rmerge | 0.069 | 0.030 | 0.562 |
Rmeas | 0.082 | 0.036 | 0.656 |
Number of reflections | 22559 | 269 | 1685 |
<I/σ(I)> | 12.66 | 30.94 | 2.11 |
Completeness [%] | 99.6 | 94.4 | 99.8 |
Redundancy | 3.683 | 3.119 | 3.797 |
CC(1/2) | 0.998 | 0.997 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.4 | 290 | RigakuReagents JCSG A7 optimization screen: 100mM Tris HCl / NaOH pH 9.4, 17.86% PEG 8000: PlfaA.17789.b.HE11.PD38363 at 11.4mg/ml: cryo: 20% EG: tray: 3908603 D3: puck qpu2-2 |