6Q55
Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97941 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 90.670, 90.670, 237.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.420 - 2.000 |
| R-factor | 0.18335 |
| Rwork | 0.181 |
| R-free | 0.22244 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | homology model based on 2I7V |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.504 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.130 | 0.250 |
| Number of reflections | 39853 | 2893 |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 7.8 | 7.8 |
| CC(1/2) | 0.990 | 0.260 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 17% (v/v) Poly Ethylene Glycol 4000, 10% (v/v) Isopropanol, 100 mM HEPES pH 7.5 |
