1BDA

CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1996-06-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	43.990, 80.780, 159.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 3.350
R-factor	0.2037 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtf
RMSD bond length	0.010
RMSD bond angle	25.745 *
Data reduction software	MOSFLM
Data scaling software	ROTAGR
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.147	0.630
Total number of observations	27265 *
Number of reflections	9414
<I/σ(I)>	3.6	1.2
Completeness [%]	86.7	55.2
Redundancy	2.9	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.2	23 *	pH 8.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.8 (mg/ml)
2	1	drop	acetate	10 (mM)
3	1	reservoir	acetate	0.1 (M)
4	1	reservoir		0.2 (M)
5	1	reservoir	mPEG6000	8 (%)
6	1	reservoir	methane pentanediol	4 (%)