8S6U

Structure of MLLE domain of Pab1 in complex with PAM2 of Upa1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.885603
Spacegroup name	C 1 2 1
Unit cell lengths	88.093, 47.608, 45.452
Unit cell angles	90.00, 117.67, 90.00

Refinement procedure

Resolution	40.260 - 2.000
Rwork	0.200
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.260	2.072
High resolution limit [Å]	2.000	2.000
Number of reflections	11069	953
<I/σ(I)>	27.21
Completeness [%]	97.1
Redundancy	3.4
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Sodium HEPES pH 7.5, 25% PEG 3000