1BZ6

ATOMIC RESOLUTION CRYSTAL STRUCTURE AQUOMET-MYOGLOBIN FROM SPERM WHALE AT ROOM TEMPERATURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-04-01
Detector	MAR scanner 300 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	34.830, 30.920, 64.570
Unit cell angles	90.00, 105.50, 90.00

Refinement procedure

Resolution	12.000 - 1.200
R-factor	0.091
R-free	0.11200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mbn
RMSD bond length	0.015
RMSD bond angle	0.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.048	0.282
Total number of observations	564343 *
Number of reflections	41547
<I/σ(I)>	30.4	6.6
Completeness [%]	99.4	100
Redundancy	10.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6		PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULPHATE, 0.1 M POTASSIUM PHOSPHATE, pH 6.0