4K24

Structure of anti-uPAR Fab ATN-658 in complex with uPAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.04
Spacegroup name	H 3 2
Unit cell lengths	164.659, 164.659, 391.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.902 - 4.500
R-factor	0.22
Rwork	0.217
R-free	0.27510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BT2(chain A B U) 4K23(chain H L)
RMSD bond length	0.013
RMSD bond angle	2.017
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.000	27.000	4.660
High resolution limit [Å]	4.500	9.560	4.500
Rmerge	0.139	0.053	0.841
Number of reflections	12451
<I/σ(I)>	7.9
Completeness [%]	99.7	98.3	100
Redundancy	4.4	3.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1M HEPES pH 7.5, 55%(v/v) Tacsimate, 2%(v/v) 2-methyl-1,3-propanediol, vapor diffusion, sitting drop, temperature 295K