5EPM

Ceratotoxin variant in complex with specific antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	CCD
Collection date	2013-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.322, 98.438, 107.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 1.750
R-factor	0.1918
Rwork	0.190
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vl5 1niy
RMSD bond length	0.007
RMSD bond angle	1.267
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.057	0.271
Number of reflections	103911
<I/σ(I)>	49.57	6.07
Completeness [%]	99.8	99.1
Redundancy	7.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	13% PEG8000; Zink Acetate; Sodium Cacodylate; Glycerol