7CXU

Crystal structure of CmnK in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	80
Detector technology	CCD
Collection date	2019-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9732
Spacegroup name	P 2 21 21
Unit cell lengths	50.609, 87.124, 146.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.130 - 2.190
R-factor	0.207
Rwork	0.205
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cxs
RMSD bond length	0.003
RMSD bond angle	1.288
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.190	2.190
Number of reflections	34342	3300
<I/σ(I)>	14.05
Completeness [%]	99.5
Redundancy	4.5
CC(1/2)	0.750	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	50 mM MgCl2.6H2O, 30% w/v PEG-550, and 100 mM HEPES