4MGQ

PbXyn10C CBM APO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Detector technology	CCD
Collection date	2013-04-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 31 2 1
Unit cell lengths	68.683, 68.683, 111.471
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.830 - 1.680
R-factor	0.1832
Rwork	0.182
R-free	0.20880
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.097
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.830	1.710
High resolution limit [Å]	1.680	1.680
Rmerge		0.744
Number of reflections	35308
<I/σ(I)>		2.04
Completeness [%]	95.7	99.8
Redundancy		4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	2.0 M Ammonium Sulfate, 0.1 M Sodium Chloride, 0.1 M Sodium Cacodylate, 5 mg/mL protein, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K