6IH8

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

Experimental procedure

Experimental method	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
Unit cell lengths	62.030, 118.591, 98.228
Unit cell angles	90.00, 90.65, 90.00

Refinement procedure

Resolution	26.749 - 2.250
R-factor	0.1782
Rwork	0.176
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5m
RMSD bond length	0.008
RMSD bond angle	0.886
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.750	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.100	0.530
Number of reflections	67160	6292
<I/σ(I)>	4.8
Completeness [%]	99.0
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG 3350