6IH3

Crystal structure of Phosphite Dehydrogenase 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	2017-12-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
格子定数 [Å]	97.770, 122.584, 61.662
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	45.408 - 1.942
R因子	0.1687
Rwork	0.167
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5m
結合長の平均二乗偏差(RMSD) [Å]	0.007
結合角の平均二乗偏差(RMSD) [度]	0.889
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)	45.410	2.010
分解能 [Å] (高)	1.940	1.940
Rmerge_l_obs	0.130	0.560
独立反射数	55297	5308
<I/σ(I)>	15.05
完全性 [%]	99.7
冗長性	12.7

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) PEG 3350