3KVY

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
Spacegroup name	P 41 21 2
Unit cell lengths	83.478, 83.478, 260.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.300
R-factor	0.182
Rwork	0.180
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.005
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Number of reflections	41403

Crystallization Conditions

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