5LHP

The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	P 31 2 1
Unit cell lengths	94.080, 94.080, 122.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.738 - 2.630
R-factor	0.2072
Rwork	0.206
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lhr 4jvp
RMSD bond length	0.011
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.738	2.770
High resolution limit [Å]	2.630	2.630
Rmerge	0.088	1.017
Number of reflections	18943
<I/σ(I)>	22.94
Completeness [%]	99.2
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	288	100 mM HEPES, 1.6 M Li2SO4