5HGG

Crystal structure of uPA in complex with a camelid-derived antibody fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2015-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	186.985, 77.749, 61.454
Unit cell angles	90.00, 102.40, 90.00

Refinement procedure

Resolution	30.000 - 1.970
R-factor	0.1688
Rwork	0.167
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.000
High resolution limit [Å]	1.970	5.340	1.970
Rmerge	0.058	0.025	0.364
Rmeas	0.067	0.029	0.421
Rpim	0.032	0.014	0.210
Total number of observations	247411
Number of reflections	59384
<I/σ(I)>	8.4
Completeness [%]	97.4	98.3	92.6
Redundancy	4.2	4.1	3.7
CC(1/2)		0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	289	Sodium Phosphate dibasic, Ammonium Sulfate, MES, Tween 20