6I4I
Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 68.610, 71.330, 109.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.050 - 1.900 |
R-factor | 0.1806 |
Rwork | 0.179 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cbu |
RMSD bond length | 0.008 |
RMSD bond angle | 0.893 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.050 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.096 | 0.710 |
Rmeas | 0.115 | 0.848 |
Rpim | 0.061 | 0.457 |
Number of reflections | 81327 | 8100 |
<I/σ(I)> | 9.06 | |
Completeness [%] | 99.5 | 99.11 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.995 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 298 | 23% PEG3350, 0.1M BIS-TRIS pH 5.9, 0.2M K-SCN; 20% PEG400 used for cryoprotection |