5LRN

Structure of mono-zinc MCR-1 in P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97831
Spacegroup name	P 1 21 1
Unit cell lengths	52.200, 82.330, 81.740
Unit cell angles	90.00, 104.42, 90.00

Refinement procedure

Resolution	50.556 - 1.550
R-factor	0.1662
Rwork	0.165
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lrm
RMSD bond length	0.011
RMSD bond angle	1.227
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.560	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.097	0.670
Number of reflections	94911
<I/σ(I)>	9.3	1.9
Completeness [%]	98.0	96.7
Redundancy	6.7	6.8
CC(1/2)	0.993	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291.15	0.2 M Lithium chloride, 0.1 M sodium acetate pH 5.0, 20% w/v PEG6000