3CFK

Crystal structure of catalytic elimination antibody 34E4, triclinic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-24
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	81.069, 106.299, 116.109
Unit cell angles	89.89, 90.04, 89.48

Refinement procedure

Resolution	41.670 - 2.600
R-factor	0.222
Rwork	0.221
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0l
RMSD bond length	0.012
RMSD bond angle	1.295
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.600	2.600
Number of reflections	112380
<I/σ(I)>	11.25	1.5
Completeness [%]	95.3	94.7
Redundancy	1.6	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.7		33% PEG 2000, 0.2M CDCL2, 0.1M BIS- TRIS-PROPANE, PH 6.7, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, pH 6.70