1SQE

1.5A Crystal Structure Of the protein PG130 from Staphylococcus aureus, Structural genomics

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-26
Detector	SBC-2
Wavelength(s)	0.9795, 0.9798, 0.94656
Spacegroup name	P 1 21 1
Unit cell lengths	45.233, 38.013, 61.552
Unit cell angles	90.00, 93.91, 90.00

Refinement procedure

Resolution	19.400 - 1.500
R-factor	0.203
Rwork	0.203
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.087	0.274
Number of reflections	59383
<I/σ(I)>	23.29	2.12
Completeness [%]	94.7	77.4
Redundancy	4.78	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	25% PEG 4000, 0.25M NaCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K