5NY5

The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	H 3 2
格子定数 [Å]	209.907, 209.907, 162.179
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	48.060 - 2.501
R因子	0.2032
Rwork	0.201
R-free	0.23590
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.003
結合角の平均二乗偏差(RMSD) [度]	0.560
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.10.1_2155))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	48.060	2.590
分解能 [Å] (高)	2.500	2.500
Rmerge_l_obs	0.118	0.779
独立反射数	47197	4613
<I/σ(I)>	22.3
完全性 [%]	100.0	99
冗長性	20	19.9
CC(1/2)	0.999

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP		289	0.15 M L-Arginine, 0.075 M sodium acetate pH 5.0, 6 % w/v PGA protein concentrations of 5.5 and 14 mg/mL