7N7J
Crystal Structure of PI5P4KIIAlpha complex with AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 136.074, 136.074, 95.141 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.100 |
R-factor | 0.2147 |
Rwork | 0.213 |
R-free | 0.25080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ybx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.196 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.8.0218) |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.074 | 0.038 | 0.711 |
Rmeas | 0.077 | 0.039 | 0.740 |
Rpim | 0.021 | 0.011 | 0.201 |
Number of reflections | 30655 | 3253 | 2996 |
<I/σ(I)> | 11 | ||
Completeness [%] | 99.7 | 98.1 | 99.7 |
Redundancy | 13.6 | 13.2 | 13.1 |
CC(1/2) | 0.999 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2 M Lithium sulfate monohydate, 0.1 M HEPES pH 7.5, 25% (w/v) Polyethylene glycol 3350 |