8R39

Full-length LpMIP mutant Y16F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9677
Spacegroup name	P 43 21 2
Unit cell lengths	78.444, 78.444, 105.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 2.200
R-factor	0.2203
Rwork	0.218
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	4.900
High resolution limit [Å]	2.200	2.200
Number of reflections	25869	3405
<I/σ(I)>	14
Completeness [%]	99.9
Redundancy	8
CC(1/2)	0.950	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	MES 50mM NaCl 150mM PEG3350 14%