8WAF

Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-16
Detector	RAYONIX MX225HE
Wavelength(s)	0.97892
Spacegroup name	P 62 2 2
Unit cell lengths	123.340, 123.340, 160.784
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.486 - 2.800
R-factor	0.2033
Rwork	0.202
R-free	0.22280
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.201
Rmeas	0.204
Rpim	0.032	0.512
Total number of observations	770816
Number of reflections	18407	882
<I/σ(I)>	5.5
Completeness [%]	99.9	100
Redundancy	41.9
CC(1/2)		0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50mM CHES (pH 9.0), 0.2M lithium sulfate, 36% PEG400