4EGD

1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	44.231, 88.782, 121.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.930 - 1.850
R-factor	0.17017
Rwork	0.168
R-free	0.21527
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eg9
RMSD bond length	0.028
RMSD bond angle	1.980
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.074	0.579
Number of reflections	41503
<I/σ(I)>	24.9	2.9
Completeness [%]	99.5	90.8
Redundancy	7.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	7.3 mg/mL protein in 0.5 M sodium chloride, 0.01 M Tris, pH 8.3, screen: PACT, A3, 0.1 M SPG buffer, pH 6.0, 25% w/v PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K