4R6T
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 173.895, 175.933, 231.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.702 - 2.600 |
R-factor | 0.214 |
Rwork | 0.211 |
R-free | 0.26930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr4 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.601 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 77.950 |
High resolution limit [Å] | 2.600 |
Number of reflections | 189586 |
Redundancy | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4, 1 mM TCEP, vapor diffusion, hanging drop, temperature 298K |