6IH2

Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506

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	2017-12-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 2 21 21
格子定数 [Å]	61.653, 97.849, 122.440
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	38.324 - 2.048
R因子	0.164
Rwork	0.162
R-free	0.19400
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]	0.852
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)	38.324	2.120
分解能 [Å] (高)	2.048	2.050
Rmerge_l_obs	0.130	0.460
独立反射数	46894	4180
<I/σ(I)>	6.6
完全性 [%]	98.8	89.79
冗長性	12.3	12.2

結晶化条件

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