5NMV

Crystal structure of 2F22 Fab fragment against TFPI1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-26
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	89.010, 66.660, 106.110
Unit cell angles	90.00, 111.18, 90.00

Refinement procedure

Resolution	27.642 - 1.650
R-factor	0.1766
Rwork	0.175
R-free	0.20220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2283: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.642	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.084	2.280
Rmeas	0.096	2.670
Number of reflections	301437	19462
<I/σ(I)>	9.56	0.67
Completeness [%]	99.5	99.2
Redundancy	4.3	3.8
CC(1/2)	0.998	0.160

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20 % PEG 3350 200 mM Potassium formate