8GME

Crystal structure of the gp32-Dda-dT17 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.27046
Spacegroup name	P 21 21 21
Unit cell lengths	109.862, 114.353, 147.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 4.980
R-factor	0.2969
Rwork	0.286
R-free	0.31330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.790
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (1.14_3260)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.560	5.080
High resolution limit [Å]	4.980	4.980
Number of reflections	8255	419
<I/σ(I)>	12.5	4.24
Completeness [%]	96.8	96.83
Redundancy	10.56	8.34
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	10% (w/v) PEG4000, 0.1 M Hepes pH 7.5, 0.1 M MgCl2. *** *** 25% (w/v) PEG1000; 0.1M Na/K phosphate pH 6.5; 0.2M NaCl.
1	VAPOR DIFFUSION, HANGING DROP		291.15	10% (w/v) PEG4000, 0.1 M Hepes pH 7.5, 0.1 M MgCl2. *** *** 25% (w/v) PEG1000; 0.1M Na/K phosphate pH 6.5; 0.2M NaCl.