5L7G

MCR IN COMPLEX WITH ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	48.635, 77.704, 78.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.320 - 2.010
R-factor	0.209
Rwork	0.207
R-free	0.24340
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	Aimless
Refinement software	BUSTER (2.11.6 PACIOREK)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.630
High resolution limit [Å]	2.010
Rmerge	0.145
Number of reflections	20315
<I/σ(I)>	11.4
Completeness [%]	99.6
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.9 M AMS 0.1 M CHES pH 9.5 +10% Morpheus C9