5YC6

The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6

Replaces:  4JNI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	120.853, 120.853, 42.627
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.180
R-factor	0.198
Rwork	0.197
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dva
RMSD bond length	0.008
RMSD bond angle	1.405
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.130	1.130
Rmerge	0.083	0.450
Number of reflections	73602
<I/σ(I)>	29.5
Completeness [%]	97.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	50mM sodium citrate (pH 4.6), 2.0M ammonium sulfate supplemented with 5% PEG 400