7YJP

Crystal structure of MCR-1 treated by AuCl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	47.110, 83.540, 81.900
Unit cell angles	90.00, 99.24, 90.00

Refinement procedure

Resolution	58.093 - 1.880
R-factor	0.2041
Rwork	0.202
R-free	0.24450
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.2)
Phasing software	PHENIX
Refinement software	PHENIX (dev_3339)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.093	9.090	1.930
High resolution limit [Å]	1.880	7.410	1.880
Rmerge	0.059	0.032	0.677
Rmeas	0.070	0.038	0.799
Rpim	0.038	0.021	0.420
Number of reflections	48894	583	3650
<I/σ(I)>	11.7
Completeness [%]	96.1	97	97.9
Redundancy	3.4	3.3	3.5
CC(1/2)	0.997	0.993	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100mM Tris-HNO3, pH 8.0, 32% PEG 3350, 25% Glycerol, 5mM AuCl