6IH4

Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	60.560, 97.822, 61.640
Unit cell angles	90.00, 102.77, 90.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.1782
Rwork	0.176
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5m
RMSD bond length	0.003
RMSD bond angle	0.580
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.060	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.220	0.550
Number of reflections	21013	1767
<I/σ(I)>	9.98
Completeness [%]	97.1
Redundancy	6.6

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