6FR5

HA1.7 TCR Study of CDR Loop Flexibility

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	43.080, 81.180, 64.790
Unit cell angles	90.00, 90.37, 90.00

Refinement procedure

Resolution	40.590 - 1.370
R-factor	0.16887
Rwork	0.168
R-free	0.19069
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eh4
RMSD bond length	0.017
RMSD bond angle	1.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.590	1.410
High resolution limit [Å]	1.370	1.370
Rmerge	0.049	0.545
Rmeas	0.057	0.638
Number of reflections	91903	6599
<I/σ(I)>	13.7	2.3
Completeness [%]	98.4	95.8
Redundancy	3.8	3.7
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2M Na Citrate, 0.1M TrisHCl, 30% PEG 400