5Y1W
Crystal structure of Plasmodium falciparum aminopeptidase N with Magnesium bound to active site Zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-06-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.421, 109.205, 112.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.670 - 1.560 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x2u |
RMSD bond length | 0.023 |
RMSD bond angle | 2.114 |
Data reduction software | DENZO (2.3.1) |
Data scaling software | SCALEPACK (2.2.0) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.670 | 50.000 | 1.620 |
High resolution limit [Å] | 1.560 | 3.360 | 1.560 |
Rmerge | 0.032 | 0.024 | 0.189 |
Rmeas | 0.036 | 0.027 | 0.214 |
Rpim | 0.015 | 0.011 | 0.097 |
Number of reflections | 126034 | 12570 | |
<I/σ(I)> | 35.4 | 6.84 | |
Completeness [%] | 96.4 | 93.4 | 97.2 |
Redundancy | 4.8 | 5.3 | 4.4 |
CC(1/2) | 0.999 | 0.999 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris, pH 8.5, 0.2M Magnesium chloride, 24% PEG 2000 |