3GR7

Structure of OYE from Geobacillus kaustophilus, hexagonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-17
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54178
Spacegroup name	P 65 2 2
Unit cell lengths	101.990, 101.990, 260.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.488 - 2.300
Rwork	0.200
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z41
RMSD bond length	0.003
RMSD bond angle	0.876
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	35123
<I/σ(I)>	18.7	4.8
Completeness [%]	98.0	96.6
Redundancy	15.8	15.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	293	50mM Bis-Tris, 50mM ammonium sulfate, 30% v/v pentaerythritole ethoxylate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K