6PBT

Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	181.619, 53.927, 96.895
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	39.780 - 2.180
R-factor	0.1755
Rwork	0.173
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c4n
RMSD bond length	0.012
RMSD bond angle	1.325
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.780	2.240
High resolution limit [Å]	2.180	2.180
Number of reflections	48010	3584
<I/σ(I)>	11.5
Completeness [%]	97.8
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	270 mM ammonium formate, and 28% PEG 3350