3ZL4

Antibody structural organization: Role of kappa - lambda chain constant domain switch in catalytic functionality

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-14
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	60.631, 60.631, 279.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.399 - 1.950
R-factor	0.2077
Rwork	0.205
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xza
RMSD bond length	0.007
RMSD bond angle	1.118
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.100	0.850
Number of reflections	39334
<I/σ(I)>	15.6	2.7
Completeness [%]	99.9	100
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1M MES PH 6.5, 0.25 M AMMONIUM SULFATE, 20% W/V PEG 5000 MME