2Q07

Crystal structure of AF0587, a protein of unknown function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 1 21 1
Unit cell lengths	45.791, 58.745, 51.258
Unit cell angles	90.00, 96.91, 90.00

Refinement procedure

Resolution	32.040 - 2.040
R-factor	0.245
Rwork	0.245
R-free	0.28400
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.040	2.040
Rmerge	0.040	0.430
Number of reflections	16046
<I/σ(I)>	15	1
Completeness [%]	96.0	52
Redundancy	3	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M Magnesium formate, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K