2XRX

CRYSTAL STRUCTURE OF BIPHENYL DIOXYGENASE IN COMPLEX WITH BIPHENYL FROM BURKHOLDERIA XENOVORANS LB400

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-19
Detector	ADSC SX-165
Spacegroup name	P 1
格子定数 [Å]	132.824, 132.646, 130.423
格子定数 [度]	102.65, 101.11, 105.31

精密化法

残基	119.520 - 2.420
R因子	0.23302
Rwork	0.233
R-free	0.27031
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xr8
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	0.905
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	100.000	2.480
分解能 [Å] (高)	2.400	2.400
Rmerge_l_obs	0.060	0.270
独立反射数	309885
<I/σ(I)>	13.8	2.2
完全性 [%]	93.0	74
冗長性	2.7	1.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6		PROTEIN WAS CRYSTALLIZED FROM 20% PEG 5000MME, 50 MM PIPES, PH 6.5.