3GR8

Structure of OYE from Geobacillus kaustophilus, orthorhombic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8148
Spacegroup name	I 21 21 21
Unit cell lengths	82.394, 151.930, 143.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.214 - 2.500
Rwork	0.188
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z41
RMSD bond length	0.002
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	2.630
High resolution limit [Å]	2.500	2.500
Number of reflections	30975
<I/σ(I)>	4.4	1.3
Completeness [%]	97.6	83.7
Redundancy	8.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.3	293	50mM Bis-Tris, 50mM ammonium sulfate, 30% v/v pentaerythritole ethoxylate, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K