3ABG

X-ray Crystal Analysis of Bilirubin Oxidase from Myrothecium verrucaria at 2.3 angstrom Resolution using a Twin Crystal

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 63
格子定数 [Å]	139.742, 139.742, 135.561
格子定数 [度]	90.00, 90.00, 120.00

精密化法

分解能	33.560 - 2.300
R因子	0.1729
Rwork	0.158
R-free	0.18580
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.011
結合角の平均二乗偏差(RMSD) [度]	1.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.20.1_4487)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.380
分解能 [Å] (高)	2.300	2.300
Rmerge_l_obs	0.061	0.414
独立反射数	66384	6514
<I/σ(I)>	30.2	2.4
完全性 [%]	99.5	98.4
冗長性	5.7	5.5

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% 2-methyl-2,4-pentanediol(MPD), 1.44M ammonium sulfate, 10% glycerol, 0.5M KCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K