7UJX

Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	285
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	58.976, 79.744, 99.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.530 - 2.400
R-factor	0.1331
Rwork	0.128
R-free	0.17650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fjq
RMSD bond length	0.004
RMSD bond angle	0.778
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.530	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.183	0.702
Rmeas	0.191	0.729
Rpim	0.053	0.197
Number of reflections	18876	1866
<I/σ(I)>	15.9
Completeness [%]	99.9	100
Redundancy	13	13.7
CC(1/2)	0.993	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% PEG 4000, 0.05 M MES pH 5.2, 0.05 M MgCl2, and 0.005 M DTT