5HM8
2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine 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 | 2015-10-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.837, 185.310, 122.439 |
| Unit cell angles | 90.00, 97.85, 90.00 |
Refinement procedure
| Resolution | 29.930 - 2.850 |
| R-factor | 0.17439 |
| Rwork | 0.173 |
| R-free | 0.20047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB-3OND |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.732 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.107 | 0.600 |
| Number of reflections | 109105 | |
| <I/σ(I)> | 12.5 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein: 19.7 mg/ml, 0.1M Tris HCl (pH 8.3), ADN, NAD; Screen: Classics II (G4), 0.2M Lithium sulfate, 0.1M HEPES (pH 7.5), 25% (w/v) PEG 3350. |
