1HJT

SPERM WHALE MYOGLOBIN (FERROUS, NITRIC OXIDE BOUND)

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-03-10
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	64.453, 29.444, 35.328
Unit cell angles	90.00, 106.32, 90.00

Refinement procedure

Resolution	5.000 - 1.700
R-factor	0.1617
R-free	0.25150
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1yoi
RMSD bond length	0.005
RMSD bond angle	20.837 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXL-96
Refinement software	SHELXL-96

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.044	0.244
Total number of observations	56610 *
Number of reflections	11674
<I/σ(I)>	32.7	6.4
Completeness [%]	80.1	73.1
Redundancy	3.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *		17 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	60 (mg/ml)
2	1	2	phosphate	100 (mM)
3	1	2	sodium fluoride	300 (mM)
4	1	2	ammonium sulfate	85 (%sat)