5KHG
HCN2 CNBD in complex with cytidine-3', 5'-cyclic monophosphate (cCMP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.033210 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 96.204, 96.204, 46.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.422 - 2.241 |
R-factor | 0.2252 |
Rwork | 0.223 |
R-free | 0.26430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1Q5O |
RMSD bond length | 0.008 |
RMSD bond angle | 1.006 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.422 | 48.049 | 2.370 |
High resolution limit [Å] | 2.230 | 6.650 | 2.230 |
Rmerge | 0.085 | 0.079 | 0.992 |
Rmeas | 0.095 | 0.088 | 1.101 |
Total number of observations | 58427 | ||
Number of reflections | 10939 | 470 | 1657 |
<I/σ(I)> | 10.85 | 21.01 | 1.95 |
Completeness [%] | 98.6 | 94 | 96.2 |
CC(1/2) | 0.993 | 0.989 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 200 mM NaCl, 0.1 mM sodium citrate pH 5.0, 16% PEG 400 |