7CHX

acylphosphatase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97940
Spacegroup name	P 43
Unit cell lengths	77.124, 77.124, 35.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.720 - 1.490
R-factor	0.2031
Rwork	0.201
R-free	0.23990
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.491
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.520
High resolution limit [Å]	1.490	1.490
Number of reflections	32259	1417
<I/σ(I)>	26.94
Completeness [%]	94.1
Redundancy	3.5
CC(1/2)	0.984	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris, pH 8.5, 30% (w/v) PEG4000, 200 mM Sodium acetate