3KVV

Trapping of an oxocarbenium ion intermediate in UP crystals

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-16
Detector	ADSC QUANTUM 315
Spacegroup name	P 32
格子定数 [Å]	92.864, 92.864, 145.016
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	23.520 - 1.800
R因子	0.175
Rwork	0.173
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.007
結合角の平均二乗偏差(RMSD) [度]	1.174
Refinement software	PHENIX (1.5_2)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000
分解能 [Å] (高)	1.800	1.800
独立反射数	123229

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.3	295	5% PEG4K, 5% glycerol, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K