1GKC

MMP9-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	298
Detector technology	CCD
Collection date	1999-08-25
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	56.005, 56.005, 262.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 2.300
Rwork	0.207
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hfs
RMSD bond length	0.006
RMSD bond angle	23.400 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.300	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.117	0.479
Total number of observations	77726 *
Number of reflections	17375	2656 *
<I/σ(I)>	14.4	4.2
Completeness [%]	88.3 *	83.3 *
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	15 *	THE CRYSTALLISATION DROPS CONTAINED A 1:1 MIXTURE OF PURIFIED COMPLEX SOLUTION (0.55 MG/ML PROTEIN AND 0.5 MM INHIBITOR SOLUTION CONCENTRATED TO ~4 MG/ML IN 20 MM TRIS- HCL PH 7.5, 2 MM CACL2, 50 MM NACL) AND RESERVOIR BUFFER (3.6 M NACL, 0.1 M HEPES PH 7.5).

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.55 (mg/ml)
2	1	drop	inhibitor	0.5 (mM)
3	1	drop	Tris-HCl	20 (mM)	pH7.5
4	1	drop		2 (mM)
5	1	drop		50 (mM)
6	1	reservoir		3.6 (M)
7	1	reservoir	HEPES	0.1 (M)	pH7.5