1U2W

Crystal Structure of the Staphylococcus aureus pI258 CadC

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000, 0.9795, 0.9793, 0.9563
Spacegroup name	P 41
Unit cell lengths	116.536, 116.536, 41.842
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.630 - 1.900
R-factor	0.20774
Rwork	0.205
R-free	0.26112
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.765
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.000	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	40693
<I/σ(I)>	28
Completeness [%]	95.6	99.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	296	ammonium sulfate, sodium citrate, methanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K