6QKX

2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-02
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 41
Unit cell lengths	176.860, 176.860, 49.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.418 - 2.400
R-factor	0.2313
Rwork	0.229
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qkr
RMSD bond length	0.004
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	29947	2975
<I/σ(I)>	12.9	2.1
Completeness [%]	99.1	99.8
Redundancy	5.7	6.1
CC(1/2)	0.998	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277.15	PEG 3350, NaF