3KVR

Trapping of an oxocarbenium ion intermediate in UP crystals

Experimental procedure

実験手法	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
格子定数 [Å]	82.416, 82.416, 258.592
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	? - 2.600
R因子	0.169
Rwork	0.167
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.173
Refinement software	PHENIX

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000
分解能 [Å] (高)	2.600	2.600
独立反射数	28268

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.3	295	18% PEG5K MME, 140 mM MgCl2, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K