1AJ9

R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	273
Detector technology	AREA DETECTOR
Collection date	1996-04
Detector	SIEMENS
Spacegroup name	P 41 21 2
Unit cell lengths	54.100, 54.100, 195.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.155 *
Rwork	0.155
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hco
RMSD bond length	0.018
RMSD bond angle	0.039
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.369
Total number of observations	59019 *
Number of reflections	12412
<I/σ(I)>	7.3	2.3
Completeness [%]	80.0	66
Redundancy	4.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch method	6.7		PROTEIN WAS BATCH CRYSTALLIZED IN 2.5 M SODIUM/POTASSIUM PHOSPHATE, PH 6.7, AND 1% (W/V) CARBOXYHEMOGLOBIN., batch method

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium/potassium phosphate	2.5 (M)
2	1	1	carboxyhemoglobin	1 (%(w/v))