6CBV

Crystal structure of BRIL bound to an affinity matured synthetic antibody.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979100
Spacegroup name	P 65
Unit cell lengths	87.954, 87.954, 159.107
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.847 - 1.872
R-factor	0.1952
Rwork	0.194
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6t 3pgf
RMSD bond length	0.004
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.171	76.171	1.990
High resolution limit [Å]	1.870	5.600	1.870
Rmerge	0.041	0.023	0.892
Rmeas	0.045	0.026	1.106
Total number of observations	263005
Number of reflections	55287	2165	7533
<I/σ(I)>	17.55	58.12	0.94
Completeness [%]	96.7	99.4	81.6
Redundancy	4.757	5.155	2.538
CC(1/2)	0.999	0.999	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M Sodium formate, 20 % w/v PEG 3350