6IH2

Crystal structure of Phosphite Dehydrogenase 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	2017-12-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 2 21 21
Unit cell lengths	61.653, 97.849, 122.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.324 - 2.048
R-factor	0.164
Rwork	0.162
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5m
RMSD bond length	0.007
RMSD bond angle	0.852
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]	38.324	2.120
High resolution limit [Å]	2.048	2.050
Rmerge	0.130	0.460
Number of reflections	46894	4180
<I/σ(I)>	6.6
Completeness [%]	98.8	89.79
Redundancy	12.3	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	289	0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG3350