4Z0F
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038(6CW)] peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-12-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.100, 72.181, 115.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.090 - 2.300 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r1a |
RMSD bond length | 0.002 |
RMSD bond angle | 0.621 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.190 | 36.190 | 2.380 |
High resolution limit [Å] | 2.300 | 8.900 | 2.300 |
Rmerge | 0.162 | 0.087 | 0.474 |
Rpim | 0.065 | 0.039 | 0.203 |
Total number of observations | 96681 | 1736 | 8364 |
Number of reflections | 14350 | ||
<I/σ(I)> | 8.8 | 12 | 4.6 |
Completeness [%] | 96.6 | 96.5 | 95.5 |
Redundancy | 6.7 | 5.9 | 6.1 |
CC(1/2) | 0.985 | 0.976 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15-20% PEG400, 0.1 M Tris-HCl, pH 8.6, 0.1 M sodium acetate and 20% isopropanol |