4EN4
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.749, 115.221, 169.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.810 - 2.150 |
Rwork | 0.219 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fhx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data reduction software | d*TREK (9.2SSI) |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.820 | 28.820 | 2.230 |
High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
Rmerge | 0.065 | 0.030 | 0.335 |
Total number of observations | 23599 | 23304 | |
Number of reflections | 49008 | ||
<I/σ(I)> | 11.9 | 37.7 | 4.1 |
Completeness [%] | 98.6 | 92.3 | 100 |
Redundancy | 4.33 | 3.4 | 4.65 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | ginkgotoxin, MgATP, 48-50% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |