5YUP

Crystal Structure of the Fab fragment of FVIIa antibody mAb4F5

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	2014-12-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	I 2 3
Unit cell lengths	141.640, 141.640, 141.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.820 - 1.810
R-factor	0.209
Rwork	0.207
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BRR AND 2R4R
RMSD bond length	0.009
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.820	1.840
High resolution limit [Å]	1.810	1.810
Rmerge	0.082	1.800
Number of reflections	43048	2259
<I/σ(I)>	25.9
Completeness [%]	100.0
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.3M ammonium sulfate, 100mM Tris-HCl pH 7.4, 5% PEG 400