4C35
PKA-S6K1 Chimera with compound 1 (NU1085) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.440, 73.380, 77.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.230 - 2.190 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c33 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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] | 53.230 | 2.260 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.050 | 0.350 |
| Number of reflections | 21188 | |
| <I/σ(I)> | 15.6 | 3.9 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 3.9 | 3.9 |
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 |
