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 |
