7Z6E

Structure of the C1-PH-CNH regulatory module of MRCK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	69.142, 97.467, 131.413
Unit cell angles	81.38, 77.77, 80.39

Refinement procedure

Resolution	49.600 - 2.140
R-factor	0.1969
Rwork	0.194
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-O01583-F1
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.220
High resolution limit [Å]	2.140	2.140
Rmerge	0.122	1.167
Rpim	0.079	0.761
Number of reflections	171288	16283
<I/σ(I)>	6.92	1.05
Completeness [%]	94.0	89.6
Redundancy	3.3	3.3
CC(1/2)	0.993	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Bicine/Tris, pH 8.5 30 mM sodium nitrate 30 mM disodium hydrogen phosphate 30 mM ammonium sulfate 20% PEG550 MME 8% PEG20K 3% (v/v) glycerol