5CFI
Structural and functional attributes of malaria parasite Ap4A hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 163.310, 64.245, 61.405 |
Unit cell angles | 90.00, 100.08, 90.00 |
Refinement procedure
Resolution | 25.094 - 2.600 |
R-factor | 0.2169 |
Rwork | 0.210 |
R-free | 0.27430 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.156 |
Data scaling software | HKL-2000 (3.15) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.030 | 2.600 |
Rmerge | 0.097 | 0.066 | 0.618 |
Rmeas | 0.109 | 0.075 | 0.687 |
Rpim | 0.048 | 0.035 | 0.296 |
Total number of observations | 96922 | ||
Number of reflections | 19340 | ||
<I/σ(I)> | 6.1 | ||
Completeness [%] | 98.3 | 98.5 | 97.9 |
Redundancy | 5 | 4.9 | 5 |
CC(1/2) | 0.995 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | peg, potassium nitrate, sodium bromide |