5L7H

MCR IN COMPLEX WITH ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	48.670, 77.890, 78.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 1.840
R-factor	0.1952
Rwork	0.194
R-free	0.22430
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	MOSFLM
Data scaling software	Aimless
Refinement software	BUSTER (2.11.6 PACIOREK)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.670
High resolution limit [Å]	1.840
Rmerge	0.093
Number of reflections	26648
<I/σ(I)>	12.2
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.9 M AMS 0.1 M CHES pH 9.5 +10% Morpheus G5