3KGP

Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-29
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	120.834, 120.834, 42.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.970 - 2.350
R-factor	0.199
Rwork	0.199
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwn
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.240	2.500
High resolution limit [Å]	2.350	2.350
Rmerge	0.067	0.197
Number of reflections	9341
<I/σ(I)>	9.65	10.16
Completeness [%]	96.9	99.54
Redundancy	4.39	4.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.05M sodium citrate, 1.95M (NH4)2SO4, 0.05% NaN3, 5% PEG 400, pH 4.60, VAPOR DIFFUSION, SITTING DROP, temperature 298K