1BIW

DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-02-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	38.060, 77.280, 106.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.247
Rwork	0.247
R-free	0.27500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	2.500
Rmerge	0.080
Number of reflections	11630
<I/σ(I)>	11
Completeness [%]	97.0
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		10 MG/ML PROTEIN IN 20-24% PEG 8000, 2.5% 2-PROPANOL, 10MM CACL2 AND 0.1M TRIS HCL BUFFER, PH 7.5-8.0