4C38
PKA-S6K1 Chimera with compound 21e (CCT239066) 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 CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.140, 75.090, 80.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.070 - 1.580 |
| R-factor | 0.1545 |
| Rwork | 0.153 |
| R-free | 0.17780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c33 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.920 |
| 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] | 40.100 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.060 | 0.480 |
| Number of reflections | 59724 | |
| <I/σ(I)> | 49.1 | 1.4 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4 | 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 |
