2Y6C

The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 4
Unit cell lengths	76.669, 76.669, 61.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.230 - 1.700
R-factor	0.20359
Rwork	0.202
R-free	0.22932
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.289
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.000
High resolution limit [Å]	1.700
Rmerge	0.090
Number of reflections	19064
Completeness [%]	97.2
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1