3ZXH

MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	134.904, 36.141, 95.069
Unit cell angles	90.00, 131.02, 90.00

Refinement procedure

Resolution	9.004 - 1.300
R-factor	0.1457
Rwork	0.145
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.385
Data reduction software	HKL
Data scaling software	SCALEPACK
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.060	0.270
Number of reflections	84772
<I/σ(I)>	11.6	2.1
Completeness [%]	99.6	99.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2	277	15% PEG 6K, 0.1M TRIS PH 8.2, 0.9 M HCOONA, 4 DEG. CELSIUS.