3KU4

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	2006-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 41
Unit cell lengths	74.108, 74.108, 266.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.099
R-factor	0.181
Rwork	0.179
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.141
Phasing software	CNS
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.099
Number of reflections	78314

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