5W60

Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	43.719, 50.716, 64.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.174 - 1.803
R-factor	0.1953
Rwork	0.193
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bd2
RMSD bond length	0.006
RMSD bond angle	0.781
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2152: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.174
High resolution limit [Å]	1.803	1.803
Rmerge	0.077	0.823
Number of reflections	13738
<I/σ(I)>	16.9
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate, TRIS