5JPI
2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 115.847, 121.218, 178.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.970 - 2.150 |
R-factor | 0.14415 |
Rwork | 0.142 |
R-free | 0.18125 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hm8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.498 |
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 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.100 | 0.691 |
Number of reflections | 136687 | |
<I/σ(I)> | 20.2 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.4 |
CC(1/2) | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Protein: 7.9 MG/ML, 0.5M SODIUM CHLORIDE, 0.1M TRIS HCL (PH 8.3), DEA; Screen: JCSG+ (A11), 0.2M Ammonium phosphate, 0.1M TRIS-HCL (pH 8.5), 50% (v/v) MPD |