3KUK

Trapping of an oxocarbenium ion intermediate in UP crystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 41 21 2
Unit cell lengths	82.639, 82.639, 259.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.783
R-factor	0.186
Rwork	0.182
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.091
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.783
Number of reflections	20711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	295	18% PEG5K MME, 140 mM MgCl2, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K