1A7C

HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	63.120, 83.370, 101.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.600 - 1.950
R-factor	0.181
Rwork	0.181
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	24.740 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.067 *	0.368 *
Number of reflections	40129
Completeness [%]	99.7	99.7
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	20 *	pH 4.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	drop		0.1 (M)
4	1	drop	TVASS	1 (mM)
5	1	reservoir	sodium formate	2.0 (M)
6	1	reservoir	sodium acetate	0.1 (M)