5E03

Crystal structure of mouse CTLA-4 nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 61 2 2
Unit cell lengths	42.147, 42.147, 208.517
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.561 - 1.685
R-factor	0.1716
Rwork	0.171
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ohq
RMSD bond length	0.007
RMSD bond angle	1.073
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.561	1.774
High resolution limit [Å]	1.685	1.685
Rmerge	0.056	0.218
Number of reflections	23330
<I/σ(I)>	11.6
Completeness [%]	99.8	99.1
Redundancy	9.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	lithium sulfate, hepes