1JPB

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	95
Detector technology	CCD
Collection date	2000-02-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9503
Spacegroup name	P 1 21 1
Unit cell lengths	63.800, 30.700, 34.390
Unit cell angles	90.00, 105.61, 90.00

Refinement procedure

Resolution	26.500 * - 1.700
R-factor	0.21 *
Rwork	0.209
R-free	0.23800 *
Starting model (for MR)	1vxh
RMSD bond length	0.005
RMSD bond angle	0.969 *
Data reduction software	DPS
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.500	1.790
High resolution limit [Å]	1.700	1.680
Rmerge	0.072	0.084
Number of reflections	14459
<I/σ(I)>	3.8	8.8
Completeness [%]	98.7	99
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
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