6D3L

Crystal structure of unphosphorylated human PKR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978971
Spacegroup name	P 61 2 2
Unit cell lengths	92.689, 92.689, 123.325
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	123.330 - 3.100
R-factor	0.2629
Rwork	0.259
R-free	0.34700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a19
RMSD bond length	0.011
RMSD bond angle	1.560
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.330	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.259	1.133
Rmeas	0.267	1.163
Rpim	0.063	0.263
Number of reflections	6130	1065
<I/σ(I)>	9.1
Completeness [%]	100.0	100
Redundancy	17.9	19.3
CC(1/2)	0.997	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Bis-Tris, pH 5.5, 2.0 M ammonium sulfate, 1:3 molar ratio of dp8 (heparin) was added to protein prior to crystallization