6Z08
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.650, 71.256, 97.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.610 - 1.490 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.18530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f14 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.614 | 1.580 |
High resolution limit [Å] | 1.489 | 1.490 |
Number of reflections | 58203 | 9369 |
<I/σ(I)> | 22.96 | 2.85 |
Completeness [%] | 98.0 | |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume Soaking of 4-Nitrophenol (10% (v/v) in DMSO) in buffer (60% (v/v)) and MPD (30% (v/v)). |