5W61

Crystal structure of BAXP168G monomer co-crystallized with glycerol

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	2013-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	42.740, 53.890, 62.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.865 - 2.300
R-factor	0.2026
Rwork	0.200
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bd2 5w60
RMSD bond length	0.008
RMSD bond angle	0.762
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]	19.865	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.060	0.595
Number of reflections	6609
<I/σ(I)>	18.68
Completeness [%]	98.0
Redundancy	5.1
CC(1/2)	0.999	0.859

Crystallization Conditions

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