4QXK
Joint X-ray/neutron structure of PKGIbeta in complex with cGMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2013-04-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 48.746, 48.746, 104.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.200 |
R-factor | 0.277 |
Rwork | 0.277 |
R-free | 0.31800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.120 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-3000 (FOR X-RAY) |
Data scaling software | HKL-3000 (FOR X-RAY) |
Phasing software | CNS |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.320 | 1.820 |
High resolution limit [Å] | 1.760 | 2.200 | 1.760 |
Rmerge | 0.044 | 0.198 | 0.547 |
Number of reflections | 13053 | ||
<I/σ(I)> | 35 | 4.9 | 2.8 |
Completeness [%] | 98.7 | 66.7 | 97.8 |
Redundancy | 7.3 | 2.9 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.4 M Na3Citrate, pH 6.5 and 0.2 M NaI solutions, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.4 M Na3Citrate, pH 6.5 and 0.2 M NaI solutions, VAPOR DIFFUSION, SITTING DROP, temperature 293K |