3OV8

Crystal structure of AF1382 from Archaeoglobus fulgidus, High resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.974
Spacegroup name	P 42
Unit cell lengths	53.033, 53.033, 40.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 1.850
R-factor	0.1804
Rwork	0.179
R-free	0.21450
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3o3k
RMSD bond length	0.008
RMSD bond angle	0.998
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.3)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	9859
<I/σ(I)>	60.66	12.96
Completeness [%]	99.9	99.8
Redundancy	13.3	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified macrobatch	4.6	291	Microbatch using 1.0 microliter drops containing equal volumes of protein concentrate (2.8 mg/ml) and solution containg 0.2 M ammonium sulfate, 0.1 M sodium acetate, 30% w/v polyethylene glycol monomethyl ether, temperature 291k, pH 4.6, modified macrobatch