5JNM

Crystal structure of MtlD from Staphylococcus aureus at 1.7-Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.655, 58.105, 126.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.268 - 1.701
R-factor	0.1667
Rwork	0.166
R-free	0.19150
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.644
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.074	0.053	0.428
Number of reflections	46251
<I/σ(I)>	8.9
Completeness [%]	98.8	99.6	95.5
Redundancy	6.8	6.8	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.8M Ammonium sulfate, 0.1M Cacodylate pH 6.5, 0.01M Cobalt(II) chloride