4LLQ

Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 2 beta, CRD2b) at 1.42A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	77
Detector technology	CCD
Collection date	2012-06-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	42.742, 62.585, 71.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.420
R-factor	0.18929
Rwork	0.188
R-free	0.22084
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lld
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.011	1.500
High resolution limit [Å]	1.420	1.420
Rmerge	0.058	0.527
Number of reflections	36179
Completeness [%]	99.3	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	294	39% PEG 6K + 5mM tri Sodium Citrate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K