3X2F
A Thermophilic S-Adenosylhomocysteine Hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 148.600, 148.600, 84.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.040 |
Rwork | 0.188 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b3r |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.071 | 0.483 |
Number of reflections | 68071 | |
<I/σ(I)> | 41.2 | 5.04 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.7 | 48.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 4.3M NaNO3, 0.1M NaAc, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |