5KHK
HCN2 CNBD in complex with 2-aminopurine riboside-3', 5'-cyclic monophosphate (2-NH2-cPuMP)
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 | 2013-02-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 96.429, 96.429, 46.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.400 - 2.070 |
R-factor | 0.2183 |
Rwork | 0.216 |
R-free | 0.26140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q5o |
RMSD bond length | 0.016 |
RMSD bond angle | 1.736 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.400 | 48.174 | 2.210 |
High resolution limit [Å] | 2.070 | 6.200 | 2.080 |
Rmerge | 0.067 | 0.044 | 0.767 |
Number of reflections | 13521 | ||
<I/σ(I)> | 26.99 | 58.27 | 4.08 |
Completeness [%] | 99.1 | 99.7 | 94.4 |
Redundancy | 13.86 | ||
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 200 mM NaCl, 0.1 mM sodium citrate pH 4.6, 12% PEG 400 |