6GC2

AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5419
Spacegroup name	P 2 21 21
Unit cell lengths	46.510, 75.810, 135.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.644 - 2.550
R-factor	0.1964
Rwork	0.193
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mlb
RMSD bond length	0.008
RMSD bond angle	1.014
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	2.641
High resolution limit [Å]	2.550	2.550
Rmerge	0.087	0.329
Number of reflections	16233	1575
<I/σ(I)>	6.85	2.01
Completeness [%]	99.9	100
Redundancy	2.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Mg formate 2H2O 0.1M Na acetate 3H2O 18% PEG MME 5000