4MZL
Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.040, 58.650, 59.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.668 - 2.010 |
Rwork | 0.192 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.106 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.670 | 41.670 | 2.120 |
High resolution limit [Å] | 2.010 | 6.350 | 2.010 |
Rmerge | 0.092 | 0.048 | 0.220 |
Number of reflections | 21734 | ||
<I/σ(I)> | 8.6 | 12.8 | 5 |
Completeness [%] | 96.6 | 96.1 | 95 |
Redundancy | 4.9 | 4.9 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Reservoir solution: 0.2M MgCl2.(H2O)6 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |