9PUC

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	2024-10-07
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97857
Spacegroup name	P 64 2 2
Unit cell lengths	93.789, 93.789, 139.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.930
R-factor	0.17269
Rwork	0.170
R-free	0.21574
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.356
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.830	1.930
Rmerge	0.307	2.030
Rmeas	0.314	2.101
Rpim	0.064	0.508
Number of reflections	27744	1296
<I/σ(I)>	14.3	1.12
Completeness [%]	99.6	95.9
Redundancy	21	11.6
CC(1/2)	1.000	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	Sodium Chloride, MES, PEG4000