8P8Q

Recombinant Ym1 crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	50.331, 60.009, 60.115
Unit cell angles	90.00, 94.66, 90.00

Refinement procedure

Resolution	42.400 - 1.792
R-factor	0.1742
Rwork	0.173
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180808)
Data scaling software	Aimless (version 0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.920	1.900
High resolution limit [Å]	1.790	1.790
Rmeas	0.247	1.121
Number of reflections	33407	5172
<I/σ(I)>	5.28	1.54
Completeness [%]	99.2	96
Redundancy	4.06
CC(1/2)	0.979	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Condition A7 of the Hampton Research Crystal Screen HT (0.1 M sodium cacodylate pH 6.5, 1.4 M sodium acetate) Cryo-protection: mother liquor supplemented with 30% (v/v) glycerol