5KHQ

Rasip1 RA domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979460
Spacegroup name	P 61 2 2
Unit cell lengths	89.200, 89.200, 177.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.050 - 2.800
R-factor	0.2358
Rwork	0.234
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kho
RMSD bond length	0.009
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.800	8.300	2.800
Rmerge	0.106	0.028	2.814
Number of reflections	10877
<I/σ(I)>	26.35	82.09	2.1
Completeness [%]	99.5	98.8	97.6
Redundancy	24.8		25.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	1.5M Ammonium Sulfate and MES pH 6.0