1O1I

Cyanomet hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-04-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 41 21 2
Unit cell lengths	56.671, 56.671, 185.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.174
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hho
RMSD bond length	0.005
RMSD bond angle	0.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.500
High resolution limit [Å]	2.300	2.300
Rmerge	0.053	0.237
Number of reflections	13935
<I/σ(I)>	22.5	5.45
Completeness [%]	97.6	97.1
Redundancy	3.27	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.7		pH 6.70