1B3K

Plasminogen activator inhibitor-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	111
Detector technology	AREA DETECTOR
Collection date	1996-09-15
Detector	SIEMENS
Spacegroup name	P 1
Unit cell lengths	65.472, 74.930, 103.691
Unit cell angles	90.97, 93.33, 115.94

Refinement procedure

Resolution	24.350 - 2.990
Rwork	0.247
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LATENT PAI-1
RMSD bond length	0.009
RMSD bond angle	22.100 *
Data reduction software	BIOMOL
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.350	3.160
High resolution limit [Å]	2.990	2.990
Rmerge	0.102	0.336
Number of reflections	25373
<I/σ(I)>	5.11	1.03
Completeness [%]	70.7	20.3
Redundancy	1.6	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	CRYSTALS WERE PRODUCED BY THE HANGING DROP METHOD EQUILIBRATING PURIFIED PROTEIN AT 5MG/ML IN 10 MM NA CACODYLATE, PH 6.8, O.25 M NACL, 1 MM EDTA AGAINST 27-32% SATURATED AMMONIUM SULPHATE, 0.25 M NA CL AND 10 MM CACODYLATE PH 6.8 AT ROOM TEMPERATURE, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	SODIUM CACODYLATE
2	1	1	NACL
3	1	1	EDTA
4	1	2	AMMONIUM SULPHATE
5	1	2	NACL
6	1	2	SODIUM CACODYLATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	27-32 (%sat)
2	1	reservoir		0.25 (M)
3	1	reservoir	cacodylate	10 (mM)