7YII
Carboxylesterase - RoCE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 18-ID |
Synchrotron site | APS |
Beamline | 18-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-10 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.677, 90.472, 131.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.340 - 1.780 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rnc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.789 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.340 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.029 | 0.010 |
Number of reflections | 55437 | 2642 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 98.5 | |
Redundancy | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1 M Bis-Tris buffer (pH 6.5), 25% PEG 300 (w/v) |