7ETQ

Crystal structure of Pro-Met-Leu-Leu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 2
Unit cell lengths	25.338, 9.678, 11.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.670 - 1.040
Rwork	0.146
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.670	12.670	1.080
High resolution limit [Å]	1.040	4.170	1.040
Rmerge	0.159	0.060	0.562
Rmeas	0.190	0.073	0.672
Number of reflections	2674	45	252
<I/σ(I)>	3.83	8.3	1.56
Completeness [%]	98.2	97.8	94
Redundancy	3.353	3.4	3.421
CC(1/2)	0.990	0.997	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM MOPS, 5 mM EDTA-2Na