6ZW0

Connectase MJ0548 from Methanocaldococcus jannaschii in complex with an MtrA-derived peptide

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	2019-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.242, 98.500, 109.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 3.050
R-factor	0.2562
Rwork	0.254
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zvz
RMSD bond length	0.004
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.250	49.250	3.240
High resolution limit [Å]	3.050	9.020	3.050
Rmerge	0.144	0.031	0.993
Rmeas	0.158	0.035	1.089
Number of reflections	15370	656	2424
<I/σ(I)>	10.53	36.46	1.81
Completeness [%]	99.6	97.8	99.4
Redundancy	6.164	5.425	5.89
CC(1/2)	0.998	0.999	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	100 mM sodium cacodylate, 15% PEG 4000