6VS2

protein D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-01
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	95.014, 66.973, 110.433
Unit cell angles	90.00, 111.10, 90.00

Refinement procedure

Resolution	15.000 - 3.000
R-factor	0.284
Rwork	0.280
R-free	0.29900
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (2.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	12518	300
<I/σ(I)>	37
Completeness [%]	99.0	86
Redundancy	5
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG, salts, etc