8K32

The complex structure of SLKARI with NADH at 2.12-angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-18
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	131.557, 131.557, 297.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.090 - 2.120
R-factor	0.1807
Rwork	0.179
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.120	2.120
Rmerge	0.049	0.631
Number of reflections	107691	10855
<I/σ(I)>	34.01	2.67
Completeness [%]	99.1
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	298	0.1M Bis-Tris, pH 7.2, 0.2M Li2SO4, 20% PEG 3350