1I85

CRYSTAL STRUCTURE OF THE CTLA-4/B7-2 COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	47.850, 54.560, 103.090
Unit cell angles	90.00, 91.63, 90.00

Refinement procedure

Resolution	10.000 - 3.200
Rwork	0.217
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	25.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.121	0.321
Number of reflections	7080
<I/σ(I)>	6.6	2.2
Completeness [%]	78.8	79.4
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	reservoir	PEG20000	18 (%)
3	1	reservoir	HEPES	100 (mM)