6IH8

Crystal structure of Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
格子定数 [Å]	62.030, 118.591, 98.228
格子定数 [度]	90.00, 90.65, 90.00

精密化法

残基	26.749 - 2.250
R因子	0.1782
Rwork	0.176
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5m
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]	0.886
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	26.750	2.330
分解能 [Å] (高)	2.250	2.250
Rmerge_l_obs	0.100	0.530
独立反射数	67160	6292
<I/σ(I)>	4.8
完全性 [%]	99.0
冗長性	3.4

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