1O1M

Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29F,H58Q B,D:V1M,V67W)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1998-08-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	63.481, 83.642, 53.516
Unit cell angles	90.00, 98.99, 90.00

Refinement procedure

Resolution	8.000 - 1.850
R-factor	0.198
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c7c
RMSD bond length	0.005
RMSD bond angle	0.015
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	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.049	0.277
Number of reflections	43765
<I/σ(I)>	24.7	5.01
Completeness [%]	92.7	93.7
Redundancy	2.51	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50