6R6T
Crystal structure of mouse cis-aconitate decarboxylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 174.074, 174.074, 71.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.848 - 2.535 |
R-factor | 0.2125 |
Rwork | 0.211 |
R-free | 0.24660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hp3 |
Data reduction software | XDS ((VERSION Nov 1) |
Data scaling software | autoPROC ((Version 1.0.5)) |
Phasing software | BALBES |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 123.089 | 2.578 |
High resolution limit [Å] | 2.535 | 2.535 |
Rmerge | 0.122 | 1.583 |
Rmeas | 0.127 | 1.444 |
Rpim | 0.033 | 0.370 |
Total number of observations | 527814 | 71632 |
Number of reflections | 36057 | 4757 |
<I/σ(I)> | 18 | 2.3 |
Completeness [%] | 97.3 | 100 |
Redundancy | 14.6 | 15.3 |
CC(1/2) | 0.999 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Condition 29 (60% tacsimate pH 7.0) of the INDEX sparse matrix screen (Hampton Research). |