5T8K
1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine 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 | 2016-06-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.686, 182.785, 96.250 |
| Unit cell angles | 90.00, 100.58, 90.00 |
Refinement procedure
| Resolution | 29.920 - 1.950 |
| R-factor | 0.1425 |
| Rwork | 0.141 |
| R-free | 0.17296 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB-5HM8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.076 | 0.722 |
| Number of reflections | 166729 | |
| <I/σ(I)> | 20.8 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Protein: 9.3 mg/ml, 0.1M Tris HCl (pH 8.3), 1mM Adenine, 1mM NAD, 1mM Homocysteine, Screen: Classics II (D9), 0.1M Bis-Tris-HCL (pH 8.5), 25% (w/v) PEG 3350 |
