1NPG

MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-09-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	35.165, 28.706, 63.032
Unit cell angles	90.00, 106.22, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.2
Rwork	0.200
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dwr
RMSD bond length	0.005
RMSD bond angle	1.414 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.038	0.201
Total number of observations	39336 *
Number of reflections	13504 *	1323 *
<I/σ(I)>	24.4	5.1
Completeness [%]	99.4	98.2
Redundancy	2.89	2.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4		AMMONIUM SULFATE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)	pH7.4
3	1	drop	ammonium sulfate	3.4-4.0 (M)
4	1	drop	Tris-HCl	100 (mM)	pH7.4
5	1	reservoir	ammonium sulfate	3.1-3.3 (M)
6	1	reservoir	Tris-HCl	100 (mM)	pH7.4