1BZR

ATOMIC RESOLUTION CRYSTAL STRUCTURE ANALYSIS OF NATIVE DEOXY AND CO MYOGLOBIN FROM SPERM WHALE AT ROOM TEMPERATURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1998-04-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	34.910, 31.040, 64.730
Unit cell angles	90.00, 105.53, 90.00

Refinement procedure

Resolution	12.000 - 1.150
R-factor	0.124
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mbn
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.200
High resolution limit [Å]	1.150	1.150
Rmerge	0.052	0.280
Total number of observations	202454 *
Number of reflections	46002
<I/σ(I)>	23.8	3.4
Completeness [%]	96.3	95.3
Redundancy	4.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.9		PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULPHATE, 0.1 M POTASSIUM PHOSPHATE, pH 5.9