2O5B

Manganese horse heart myoglobin, reduced

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	35.207, 28.741, 64.201
Unit cell angles	90.00, 105.45, 90.00

Refinement procedure

Resolution	20.630 - 2.000
R-factor	0.19616
Rwork	0.194
R-free	0.23888
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.052
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2D)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.890	26.890	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.076	0.040	0.318
Number of reflections	8510
<I/σ(I)>	9	25.4	2.7
Completeness [%]	98.7	97	96
Redundancy	2.97	2.95	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	296	Ammonium sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 296K