4KOO

Crystal Structure of WHY1 from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	C 2 2 21
Unit cell lengths	81.592, 180.685, 116.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.276 - 1.880
R-factor	0.1769
Rwork	0.176
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.363
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.880	4.050	1.880
Rmerge	0.048	0.030	0.308
Number of reflections	69721
<I/σ(I)>	19.5
Completeness [%]	99.8	99.4	99.2
Redundancy	7.1	7.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	5% PEG 3350, 0.2M Potassium Acetate, 0.1M MES pH5.5, vapor diffusion, hanging drop, temperature 298K