6QRS

X-ray radiation dose series on xylose isomerase - 0.13 MGy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.954, 0.855
Spacegroup name	I 2 2 2
Unit cell lengths	92.501, 97.489, 102.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.321 - 1.170
R-factor	0.0999
Rwork	0.099
R-free	0.11670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.162
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	1.190
High resolution limit [Å]	1.170	1.170
Rmeas	0.085	0.422
Number of reflections	154106
<I/σ(I)>	11.7
Completeness [%]	99.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	2-propanol, ethylene glycol, HEPES, magnesium chloride