6QXN
Crystal structure of the CCA-adding enzyme of a psychrophilic organism in complex with CTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.380, 70.380, 291.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.056 - 1.849 |
R-factor | 0.2028 |
Rwork | 0.202 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1miv |
RMSD bond length | 0.008 |
RMSD bond angle | 0.979 |
Data reduction software | XDS (20160617) |
Data scaling software | XSCALE (20160617) |
Phasing software | PHENIX (1.13_2998) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.849 | 1.849 |
Rmeas | 0.069 | 2.394 |
Number of reflections | 63935 | 10060 |
<I/σ(I)> | 22.11 | 0.95 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 12.2 | 12.3 |
CC(1/2) | 1.000 | 0.451 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | protein solution at 4.5 mg/mL in50 mM Tris-HCl pH 7.5, 200 mM NaCl, 5 mM MgCl2; reservoir solution: 100 mM Sodium acetate; pH 4.5 1 M di-Ammonium hydrogen phosphate remarks : soaking 30 seconds in a drop with 5 mM CTP and reservoir solution + 18% glycerol |