1LRZ

x-ray crystal structure of staphylococcus aureus femA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-29
Detector	MARRESEARCH
Wavelength(s)	0.96863, 0.97949, 0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	53.930, 90.360, 109.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.183
Rwork	0.180
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.350 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.060 *	0.246 *
Total number of observations	236796 *
Number of reflections	32411 *
<I/σ(I)>	22.3	3
Completeness [%]	99.7 *	97.9
Redundancy	7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	10 *	4 *	PEG 8000, calcium acetate, imidazole, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	2	ethanolamine	50 (mM)
2	1	2	dithiothreitol	1 (mM)	pH10.0
3	1	1	protein	12 (mg/ml)