1JP8

Sperm Whale met-Myoglobin (room temperature; high pressure)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-12-05
Detector	UCSD MARK II
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	64.090, 30.800, 34.570
Unit cell angles	90.00, 105.69, 90.00

Refinement procedure

Resolution	9.200 * - 2.300
R-factor	0.166 *
Rwork	0.165
R-free	0.23500 *
Starting model (for MR)	1vxh
RMSD bond length	0.006
RMSD bond angle	1.004 *
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.200	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.057	0.138
Number of reflections	5327
<I/σ(I)>	12.1	6
Completeness [%]	90.1	79.6
Redundancy	2.9	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6	298	ammonium sulfate, pH 6, batch, temperature 298K
1	Batch method *	6	298	ammonium sulfate, pH 6, batch, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	72-78 (%sat)	pH5.5-6.0