3BYC

Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H

Experimental procedure

実験手法	WAVELENGTH-RESOLVED LAUE
Temperature [K]	300
Detector technology	TOF AREA DETECTOR
Collection date	2007-01-01
Detector	BNL
Wavelength(s)	0.6, 7.0
Spacegroup name	P 21 21 21
格子定数 [Å]	43.441, 83.291, 87.509
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	19.540 - 2.200
Rwork	0.264
R-free	0.31500
Structure solution method	existing x-ray model used
結合長の平均二乗偏差(RMSD) [Å]	0.005
結合角の平均二乗偏差(RMSD) [度]	1.000
Refinement software	nCNS (1.0.0)

Quality characteristics

	Overall
分解能 [Å] (低)	38.910
分解能 [Å] (高)	1.850
独立反射数	12068
完全性 [%]	43.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	6.5	298	PEG 4000, pH 6.5, vapor diffusion, temperature 298K
2	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 4000, pH 6.5, vapor diffusion, hanging drop, temperature 298K