5JXW
2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.885, 136.486, 107.805 |
Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
Resolution | 29.930 - 2.250 |
R-factor | 0.1758 |
Rwork | 0.173 |
R-free | 0.22103 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB-5HM8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.469 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.078 | 0.662 |
Number of reflections | 96622 | |
<I/σ(I)> | 17.1 | 2.5 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.4 | 4.2 |
CC(1/2) | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | Protein: 9.3 mg/ml, 0.1M Tris HCl (pH 8.3),1mM NeplanocinA; Screen: Classics II (D7), 0.1M Bis-Tris-HCL (pH 6.5), 25% (w/v) PEG 3350 |