3PVT

The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with 3-hydroxybutanoyl-CoA

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	77.2
Detector technology	CCD
Collection date	2009-11-17
Detector	RAYONIX MX-300
Spacegroup name	P 41 21 2
格子定数 [Å]	77.366, 77.366, 301.412
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	42.133 - 2.030
R因子	0.1972
Rwork	0.195
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1otk
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	1.148
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	42.133	50.000	2.100
分解能 [Å] (高)	2.030	4.370	2.030
Rmerge_l_obs	0.063	0.044	0.382
独立反射数	59960
<I/σ(I)>	11.8
完全性 [%]	99.3	99.5	94.8
冗長性	10	12.4	4.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM PIPES, 5% PEG550 MME, 5% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K