6IBP
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-12-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.500, 71.500, 293.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.397 - 2.536 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1miv |
RMSD bond length | 0.009 |
RMSD bond angle | 0.963 |
Data reduction software | XDS (20180808) |
Data scaling software | XSCALE (20180808) |
Phasing software | PHENIX ((1.13_2998)) |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.600 |
High resolution limit [Å] | 2.536 | 2.536 |
Rmerge | 0.176 | 1.160 |
Rmeas | 0.189 | 1.260 |
Number of reflections | 23922 | 1598 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 90.6 | 84.6 |
Redundancy | 7.5 | 6 |
CC(1/2) | 0.987 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 7.5 | 293 | protein solution at 5.5 mg/mL in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 5 mM MgCl2; reservoir solution: 30% (m/v) PEG3350, 200 mM ammonium chloride pH 6.6. Crystallization and crystallographic analysis were performed using the ChipX microfluidic device. |