2OL3

crystal structure of BM3.3 ScFV TCR in complex with PBM8-H-2KBM8 MHC class I molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 43 21 2
Unit cell lengths	102.523, 102.523, 198.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.900
R-factor	0.2272
Rwork	0.224
R-free	0.28352
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nam
RMSD bond length	0.011
RMSD bond angle	1.269
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.116
Number of reflections	22488
Completeness [%]	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	12 % PEG 6000, 100 mM Hepes, pH 7.5, and 150 mM Magnesium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K