2Y6D

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
Spacegroup name	I 4
Unit cell lengths	76.590, 76.590, 60.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.150 - 1.600
R-factor	0.19745
Rwork	0.196
R-free	0.21610
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	1.194
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall
Low resolution limit [Å]	54.000
High resolution limit [Å]	1.600
Rmerge	0.080
Number of reflections	21912
Completeness [%]	99.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1