7BF0
Zn-bound domain 3 of CDCA1 in complex with carbon dioxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999995 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.576, 62.712, 75.018 |
Unit cell angles | 90.00, 119.78, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
Rwork | 0.215 |
R-free | 0.24590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uk8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.535 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.066 | 0.041 | 0.443 |
Rmeas | 0.068 | 0.043 | 0.474 |
Rpim | 0.019 | 0.012 | 0.162 |
Number of reflections | 61450 | 3274 | 2449 |
<I/σ(I)> | 14.6 | 50.6 | 3.9 |
Completeness [%] | 97.0 | 100 | 78 |
Redundancy | 11.6 | 12.6 | 7.1 |
CC(1/2) | 0.999 | 0.999 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | 28% (w/v) PEG2000, 20 mM lithium sulfate, 100 mM sodium citrate |