4MFH

Crystal Structure of M121G Azurin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	55.747, 145.781, 97.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 1.540
R-factor	0.1716
Rwork	0.170
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.123
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.069	0.376
Number of reflections	53091
Completeness [%]	90.5	91.1
Redundancy	6.8	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	2 UL droplet containing 1 UL apo-M121G azurin (1.3 mM) in 100 mM NaOAc pH 5.6 buffer and 1 UL PEG buffer (25% PEG 4000 containing 100 mM LiNO3, 10 mM CuSO4 and 100 mM Tris pH 8.0) above 250 UL well buffer (25% PEG 4000 containing 100 mM LiNO3 10 mM CuSO4 and 100 mM Tris pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K