7KND

C1B domain of Protein kinase C in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	120
Detector technology	PIXEL
Collection date	2020-07-20
Detector	Bruker PHOTON II
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	37.264, 37.264, 31.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.260 - 1.390
R-factor	0.2196
Rwork	0.216
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ptq
RMSD bond length	0.009
RMSD bond angle	1.354
Data reduction software	SAINT
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.260	37.260	1.410
High resolution limit [Å]	1.390	7.610	1.390
Rmerge	0.056	0.051	1.659
Rmeas	0.062	0.056	1.895
Rpim	0.025	0.023	0.905
Total number of observations	56048	389	1831
Number of reflections	8924	64	430
<I/σ(I)>	15	42.4	0.8
Completeness [%]	100.0	99.5	100
Redundancy	6.3	6.1	4.3
CC(1/2)	0.995	0.993	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	Screen: 0.2 M Ammonium acetate, 0.1 M Sodium phosphate, 30% Isopropanol, pH 6.8, Drop condition: Protein: 1.2 mM in MES pH 6.5, 150 mM KCl