8FBM
Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00003 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.036, 88.332, 98.322 |
Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
Resolution | 45.790 - 1.900 |
R-factor | 0.1497 |
Rwork | 0.148 |
R-free | 0.18980 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1-4887) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.142 | 1.094 |
Rpim | 0.068 | 0.540 |
Number of reflections | 71801 | 3602 |
<I/σ(I)> | 24.9 | 3.2 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.4 | 4.1 |
CC(1/2) | 0.988 | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | CrpaA.18219.a.A10.PS38408 at 17.5 mg/mL was incubated with final concentrations of 0.8 mM Myristoyl-CoA and 0.8 mM compound at RT for 30 min, then mixed with 1:1 with 0.06M Magnesium chloride hexahydrate: 100 mM BisTris-HCl pH 5.5, 25% PEG 3350 |