1REK
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.600, 71.900, 98.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
Rwork | 0.218 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bx6 |
RMSD bond length | 0.010 |
RMSD bond angle | 2.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.070 | 0.190 |
Number of reflections | 16950 | |
Completeness [%] | 96.0 | |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | MPD, Bicine, Mega-8, Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4.8 (mg/ml) | |
2 | 1 | drop | BD8 | 0.3 (mM) | |
3 | 1 | drop | MPD | 3.3 (%) | |
4 | 1 | drop | bicine | 100 (mM) | pH8.0 |
5 | 1 | drop | Mega-8 | 0.3 (%) | |
6 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
7 | 1 | reservoir | MPD | 20 (%) |