1UTT

Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2002-07-15
Detector	RIGAKU-MSC RAXIS IV++
Spacegroup name	P 41 3 2
Unit cell lengths	125.041, 125.041, 125.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
Rwork	0.217
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jk3
RMSD bond length	0.006
RMSD bond angle	1.170
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNX (2001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.068	0.406
Number of reflections	17420
<I/σ(I)>	25.63	4.74
Completeness [%]	99.2	99.8
Redundancy	6.98	24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M SODIUM CACODYLATE PH 6.4, 1.4M AMMONIUM ACETATE, 4 C