6IH5

Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
格子定数 [Å]	59.662, 98.523, 62.007
格子定数 [度]	90.00, 102.35, 90.00

精密化法

残基	38.218 - 2.468
R因子	0.1979
Rwork	0.195
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	0.949
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	38.218	2.560
分解能 [Å] (高)	2.468	2.470
Rmerge_l_obs	0.130	0.500
独立反射数	25158	2432
<I/σ(I)>	13.22
完全性 [%]	99.4	96.97
冗長性	6.5

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG3350