1C3I

HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1994-01-01
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	37.730, 78.060, 105.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.830
R-factor	0.203
RMSD bond length	0.008 *
RMSD bond angle	1.800 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall
High resolution limit [Å]	1.830
Rmerge	0.087
Number of reflections	20265
<I/σ(I)>	6.9
Completeness [%]	70.6 *
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	22 *	PEG, POTASSIUM CHLORIDE, CALCIUM CHLORIDE, CACODYLATE, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG	30 (%)	4000, mPEG6000 or 8000
2	1	reservoir		50 (mM)
3	1	reservoir		200 (mM)