7CL6

The crystal structure of KanJ in complex with neamine and N-oxalylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-26
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	50.340, 185.227, 109.493
Unit cell angles	90.00, 94.30, 90.00

Refinement procedure

Resolution	47.070 - 2.440
R-factor	0.1912
Rwork	0.190
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cl2
RMSD bond length	0.009
RMSD bond angle	1.511
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.440	2.440
Rmerge	0.057	0.536
Rmeas	0.078	0.732
Rpim	0.053	0.496
Number of reflections	73990	4591
<I/σ(I)>	13.3	2.1
Completeness [%]	99.8	99.9
Redundancy	3.4	3.2
CC(1/2)	0.997	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG 4000, Lithium sulfate, Tris