1O1P

Deoxy hemoglobin (A-GLY-C:V1M; B,D:V1M,C93A,N108K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1999-02-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	63.031, 83.119, 53.873
Unit cell angles	90.00, 99.04, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.188
R-free	0.24500
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	XDS
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.293
Number of reflections	47944
<I/σ(I)>	14.3	3.82
Completeness [%]	94.3	90.9
Redundancy	2.8	2.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50