5UTU
2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH 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 | 2016-03-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.906, 185.834, 121.619 |
Unit cell angles | 90.00, 97.98, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.650 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20208 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hm8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.586 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.700 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.099 | 0.646 |
Rpim | 0.047 | 0.307 |
Number of reflections | 137384 | 6836 |
<I/σ(I)> | 16.2 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.2 | 5.2 |
CC(1/2) | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | Protein: 9.3 mg/ml, 0.5M Sodium chloride, 0.1M Tris HCl (pH 8.3), 1mM Adenosine, 1mM NAD, 1mM Homocysteine; Screen: Classics II (F6), 0.2M Ammonium sulfate, 0.1M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350. |