9PRV

Crystal structure of thermostable variant of phosphite dehydrogenase from Pseudomonas stutzeri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-02
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97857
Spacegroup name	P 64 2 2
Unit cell lengths	93.711, 93.711, 140.657
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.930 - 1.820
R-factor	0.15864
Rwork	0.157
R-free	0.19131
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.323
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.340	50.000
High resolution limit [Å]	1.820	4.940
Rmerge	0.406	0.057
Rmeas	0.416	0.059
Rpim	0.091	0.013
Number of reflections	33281	1886
<I/σ(I)>	17.1
Completeness [%]	100.0	100
Redundancy	20.3	20.9
CC(1/2)	0.995	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	Magnesium chloride, TRIS, PEG 8000