7N6Z
Crystal Structure of PI5P4KIIAlpha
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 | 135.674, 135.674, 95.133 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.200 |
R-factor | 0.2099 |
Rwork | 0.208 |
R-free | 0.24480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ybx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.225 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.093 | 0.052 | 0.870 |
Rmeas | 0.096 | 0.054 | 0.904 |
Rpim | 0.026 | 0.015 | 0.242 |
Number of reflections | 25982 | 2780 | 2506 |
<I/σ(I)> | 10.8 | ||
Completeness [%] | 97.7 | 96.5 | 96.6 |
Redundancy | 14.2 | 13.3 | 13.7 |
CC(1/2) | 0.999 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2 M Lithium sulfate monohydrate, 0.1 M HEPES pH 7.5, 25% (w/v) Polyethylene glycol 3350 |