6QRY

X-ray radiation dose series on xylose isomerase - merged data

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	92.350, 97.280, 102.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.668 - 1.170
R-factor	0.0938
Rwork	0.093
R-free	0.10950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qrr
RMSD bond length	0.010
RMSD bond angle	1.181
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.700	1.190
High resolution limit [Å]	1.170	1.170
Rmeas	0.102	0.559
Number of reflections	153877
<I/σ(I)>	23.3
Completeness [%]	99.8
Redundancy	24.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.5	2-propanol, ethylene glycol, HEPES and magnesium chloride