4C36
PKA-S6K1 Chimera with compound 15e (CCT147581) bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.560, 75.850, 80.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.170 - 1.980 |
R-factor | 0.1584 |
Rwork | 0.157 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c33 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.170 | 2.030 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 31577 | |
<I/σ(I)> | 12.5 | 3.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | 18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL |