1UTZ

Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic 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 63 2 2
Unit cell lengths	123.224, 123.224, 168.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
Rwork	0.224
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jk3
RMSD bond length	0.007
RMSD bond angle	1.231
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]	99.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.143	0.446
Number of reflections	26781
<I/σ(I)>	13.22	4.1
Completeness [%]	99.6	99.8
Redundancy	6.98	6.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	0.1M IMIDAZOLE PH 8.0, 2.0-2.5M NACL, 20 C