4N2P

Structure of Archease from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	72.219, 55.386, 87.085
Unit cell angles	90.00, 91.13, 90.00

Refinement procedure

Resolution	43.946 - 1.435
R-factor	0.1431
Rwork	0.143
R-free	0.17870
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.950	1.487
High resolution limit [Å]	1.435	1.435
Rmerge	0.075	0.777
Number of reflections	118858
<I/σ(I)>	13.42	2.7
Completeness [%]	94.5	94.2
Redundancy	7.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	Sodium Acetate 0.1 M, 40% MPD, CaCl2 10 mM, MgCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K