6E3B
STRUCTURE OF Siw14 CATALYTIC CORE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.467, 160.487, 360.572 |
Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
Resolution | 14.995 - 2.500 |
R-factor | 0.2429 |
Rwork | 0.230 |
R-free | 0.24630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q47 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.011 | 0.061 |
Number of reflections | 166746 | |
<I/σ(I)> | 11.5 | 1.9 |
Completeness [%] | 91.3 | |
Redundancy | 2.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2 M magnesium chloride, 0.1 M HEPES pH 7.5, 17-25% (w/v) PEG3350 |