5BPA

X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2008-04-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	135.281, 36.141, 96.097
Unit cell angles	90.00, 131.48, 90.00

Refinement procedure

Resolution	67.537 - 1.790
R-factor	0.2392
Rwork	0.237
R-free	0.27950
RMSD bond length	0.006
RMSD bond angle	0.945
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.537	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.962	0.477
Number of reflections	33138
<I/σ(I)>	3.7	3.9
Completeness [%]	99.4	100
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	10% PEG4000, 1M Ammonium Formate, 100 mM Tris