4TNB

Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Sangivamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	80
Detector technology	CCD
Collection date	2013-06-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	62.676, 62.676, 292.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.567 - 2.113
R-factor	0.1747
Rwork	0.170
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nyn
RMSD bond length	0.008
RMSD bond angle	1.179
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.567	2.240
High resolution limit [Å]	2.113	2.200
Number of reflections	28334
<I/σ(I)>	12.64	1.34
Completeness [%]	83.7	51.9
Redundancy	3.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	21% PEG 3350, 0.15 M Sodium Chloride, 0.1 M BIS-TRIS pH 5.5