6K0F

The crystal structure of cyclopenin-bound AsqJ quinary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	73.839, 120.943, 66.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.211 - 1.634
R-factor	0.1766
Rwork	0.176
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y7r
RMSD bond length	0.007
RMSD bond angle	1.073
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.690
High resolution limit [Å]	1.630	1.630
Rmeas		0.540
Rpim		0.270
Number of reflections	37248	3627
<I/σ(I)>	29.2
Completeness [%]	99.7
Redundancy	4
CC(1/2)	0.839	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 1000, imidazole, calcium acetate