2Q0M

Tricarbonylmanganese(I)-lysozyme complex : a structurally characterized organometallic protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Detector technology	CCD
Collection date	2006-04-15
Wavelength(s)	0.979731
Spacegroup name	P 43 21 2
Unit cell lengths	79.542, 79.542, 36.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.20987
Rwork	0.206
R-free	0.24945
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	11852
<I/σ(I)>	20.61
Completeness [%]	89.1
Redundancy	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	293	0.9 M NaCl, 50 mM sodium acetate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K