6HYE

PDX1.2/PDX1.3 complex (PDX1.3:K97A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00002
Spacegroup name	H 3
Unit cell lengths	177.460, 177.460, 115.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.470 - 2.530
R-factor	0.2369
Rwork	0.235
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chainsaw model derived from 5K3V
RMSD bond length	0.006
RMSD bond angle	1.059
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]	92.470	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.177	0.976
Rmeas	0.209	1.159
Rpim	0.109	0.616
Number of reflections	45389	4481
<I/σ(I)>	9	2.2
Completeness [%]	100.0	100
Redundancy	7.2	7.1
CC(1/2)	0.991	0.639

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, pH 6.5, 5% 1,4-dioxane, 0.01 M Tris, pH 7.0, 0.1 M KCl, 0.005 M DTT