3X2E
A thermophilic 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 | 2014-03-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 106.331, 111.999, 164.888 |
Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.850 |
Rwork | 0.229 |
R-free | 0.28210 |
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 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.097 | 0.507 |
Number of reflections | 43417 | |
<I/σ(I)> | 15.2 | 2.4 |
Completeness [%] | 99.4 | 98.9 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 4.3 M NaNO3, 0.1 M NaAc, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |