1BZS

CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-08-29
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	33.100, 68.900, 70.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.192
Rwork	0.192
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jan
RMSD bond length	0.012
RMSD bond angle	24.700 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.700	1.700
Rmerge	0.048 *
Total number of observations	129143 *
Number of reflections	18344
<I/σ(I)>	26.9	17.2
Completeness [%]	99.8	99.7
Redundancy	7	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PROTEIN SOLUTION: 10 MG/ML MMP8 IN 25 MM MES, 100 MM NACL, 20 MM CACL2, 0.1 MM ZNCL2, PH 6.0, WITH THREEFOLD EXCESS INHIBITOR IN DMF ADDED. RESERVOIR SOLUTION: 10-25% (W/W) PEG6000. CRYSTALS APPEAR IN ABOUT 1 WEEK., VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MES	25 (mM)
3	1	drop		100 (mM)
4	1	drop		10 (mM)
5	1	drop		0.1 (mM)
6	1	reservoir	PEG6000	10-25 (%(w/w))