1G05

HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	1996-01-29
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.850, 78.220, 104.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
R-factor	0.246
Rwork	0.243
R-free	0.29300
RMSD bond angle	0.014
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.450	2.450
Rmerge	0.054	0.107
Number of reflections	11408
<I/σ(I)>	34.2
Completeness [%]	96.4	98.3
Redundancy	12.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K