8XWO

Vibrio harveyi chitoporin in complex with minocycline

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	2020-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	92.393, 92.500, 96.522
Unit cell angles	101.11, 101.14, 109.72

Refinement procedure

Resolution	20.020 - 3.400
R-factor	0.1861
Rwork	0.182
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mdq
RMSD bond length	0.010
RMSD bond angle	1.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (3.27)
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.020	20.000	3.460
High resolution limit [Å]	3.400	8.960	3.400
Rmerge		0.018	0.164
Rmeas	0.086	0.025	0.231
Rpim	0.061	0.018	0.164
Number of reflections	36533	1893	1477
<I/σ(I)>	53.9
Completeness [%]	95.0	97.8	77.3
Redundancy	1.9	1.9	1.8
CC(1/2)	0.942	0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1