5KHJ
HCN2 CNBD in complex with uridine-3', 5'-cyclic monophosphate (cUMP)
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 | 2012-10-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.033180 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 46.486, 89.925, 98.421 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.690 - 2.010 |
R-factor | 0.185 |
Rwork | 0.181 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q5o |
RMSD bond length | 0.017 |
RMSD bond angle | 1.799 |
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] | 28.690 | 28.675 | 2.130 |
High resolution limit [Å] | 2.010 | 5.910 | 2.010 |
Rmerge | 0.063 | 0.036 | 0.353 |
Number of reflections | 27507 | ||
<I/σ(I)> | 7.35 | 17.2 | 2 |
Completeness [%] | 95.1 | 86.1 | 94.3 |
Redundancy | 1.54 | ||
CC(1/2) | 0.993 |
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, 13% PEG 400 |