7NHE

Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.980023
Spacegroup name	H 3
Unit cell lengths	177.973, 177.973, 115.121
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.230 - 2.230
R-factor	0.1774
Rwork	0.175
R-free	0.21920
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lnu
Data reduction software	DIALS
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.230	92.230	2.280
High resolution limit [Å]	2.230	10.440	2.230
Rmerge	0.104	0.059	0.886
Rmeas	0.120	0.070	1.040
Rpim	0.059	0.035	0.534
Total number of observations	260302	2697	17113
Number of reflections	66508	640	4475
<I/σ(I)>	7.2	16.7	2.4
Completeness [%]	99.7	99.2	99.8
Redundancy	3.9	4.2	3.8
CC(1/2)	0.990	0.957	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	28.1% PEG 1000 (w/v) and 100 mM HEPES pH 7.0