6HXG

PDX1.2/PDX1.3 complex (intermediate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	H 3
Unit cell lengths	177.976, 177.976, 116.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	93.120 - 1.900
R-factor	0.2171
Rwork	0.216
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chainsaw model derived from 5K3V
RMSD bond length	0.003
RMSD bond angle	0.687
Data reduction software	MOSFLM (7.2.0)
Data scaling software	Aimless (7.0.013)
Phasing software	PHASER (7.0.013)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.120	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.126	2.143
Rmeas	0.149	2.639
Rpim	0.087	1.502
Number of reflections	119464	5824
<I/σ(I)>	8.1	0.9
Completeness [%]	99.4	97.4
Redundancy	6.8	5.2
CC(1/2)	0.997	0.085

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.8 M ammonium sulphate, 0.05 M MES.OH, pH 6.5, 5% 1,4-dioxane, 0.013 M ammonium sulphate, 0.003 M R5P, 0.001 M G3P, 0.02 M Tris.HCl, pH 8.0, 0.1 M KCl, 0.005 M DTT