5HBN

ClpC N-terminal domain with bound phospho-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 65
Unit cell lengths	84.600, 84.600, 29.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.300 - 1.602
R-factor	0.1469
Rwork	0.145
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y1q
RMSD bond length	0.009
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (Phaser-2.6.0)
Refinement software	PHENIX ((dev_2356: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.300
High resolution limit [Å]	1.602
Rmerge	0.062
Rmeas	0.063
Number of reflections	16041
<I/σ(I)>	29.81
Completeness [%]	98.2
Redundancy	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	The optimized crystallization solution contained 13.5% w/w polyethylene glycol 4000, 500 mM ammonium sulphate, and 100 mM sodium acetate at pH 5. Hexagonal crystals of space group P 6(5) formed overnight at 19C and were cryo-protected in 40% polyethylene glycol 400, 20 mM Tris pH 8, and 6 mM pArgAA prior to being flash-frozen.