3SZK

Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.880, 123.206, 143.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.590 - 3.010
R-factor	0.2468
Rwork	0.245
R-free	0.27539
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dn1 3ovu
RMSD bond length	0.005
RMSD bond angle	0.698
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.590	3.085
High resolution limit [Å]	3.007	3.007
Number of reflections	22644
Completeness [%]	95.8	99.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M potassium thiocyanate, 0.1M Tris-bis propane, 20% PEG 3350 , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K