9PU9

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	2024-09-23
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	65.502, 91.123, 144.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.920 - 1.440
R-factor	0.1297
Rwork	0.128
R-free	0.16520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.279
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.100	50.000	1.460
High resolution limit [Å]	1.440	3.910	1.440
Rmerge	0.148	0.063	1.114
Rmeas	0.156	0.066	1.235
Rpim	0.049	0.019	0.522
Number of reflections	157130	8329	7769
<I/σ(I)>	8.2
Completeness [%]	100.0	99.9	99.9
Redundancy	9.7	11.3	5.2
CC(1/2)	0.996	0.998	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	Ammonium Acetate, Bis-Tris, PEG 3350