8JTU

Connectase T1A mutant from Methanocaldococcus mazei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	90.720, 90.720, 90.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.550 - 3.400
R-factor	0.2116
Rwork	0.207
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.019
RMSD bond angle	2.423
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.550	3.522
High resolution limit [Å]	3.400	3.400
Rmerge	0.142
Rmeas	0.150
Rpim	0.048
Number of reflections	61160	6196
<I/σ(I)>	13.17
Completeness [%]	99.7
Redundancy	9.9
CC(1/2)	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291.15	0.01 M tri sodium citrate, 16% PEG 6000