1O1J

Deoxy 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 1 21 1
Unit cell lengths	63.396, 83.470, 53.643
Unit cell angles	90.00, 99.22, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.159
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aby
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	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.055	0.304
Number of reflections	39493
<I/σ(I)>	27.3	7.15
Completeness [%]	90.7	79.2
Redundancy	3.54	3.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50