3MQ7

Crystal Structure of Ectodomain Mutant of BST-2/Tetherin/CD317

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	110
Detector technology	CCD
Collection date	2010-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	66.004, 97.156, 117.404
Unit cell angles	90.00, 105.86, 90.00

Refinement procedure

Resolution	38.680 - 2.280
R-factor	0.23736
Rwork	0.236
R-free	0.27017
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.399
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	2.380
High resolution limit [Å]	2.280	2.280
Rmerge	0.069	0.721
<I/σ(I)>	10.6	1.07
Completeness [%]	95.0	89.4
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	Crystals were grown using the microbatch under-oil method by mixing protein with crystallization buffer containing 200 mM CaCl2, 100 mM HEPEs (pH 7.5), 28% PEG 400. Crystallization under oil, pH 7.5, EVAPORATION, temperature 298.0K
1	EVAPORATION	7.5	298	Crystals were grown using the microbatch under-oil method by mixing protein with crystallization buffer containing 200 mM CaCl2, 100 mM HEPEs (pH 7.5), 28% PEG 400. Crystallization under oil, pH 7.5, EVAPORATION, temperature 298.0K