1A0Z

HEMOGLOBIN (VAL BETA1 MET) MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1995-06-23
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	83.900, 112.000, 63.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.167 *
Rwork	0.167
Structure solution method	ISOMORPHOUS WITH DEOXYHEMOGLOBIN A
Starting model (for MR)	DEOXYHEMOGLOBIN A IN THE SAME CELL UNPUBLISHED RESULTS N.-L. CHAN AND A. ARNONE
RMSD bond length	0.011
RMSD bond angle	0.026
Data reduction software	SDMS
Data scaling software	SDMS
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.199
Total number of observations	262565 *
Number of reflections	40065
<I/σ(I)>	9.8	2.77
Completeness [%]	96.8	88.5
Redundancy	6.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7		10.5% PEG 6000 10 MM POTASSIUM PHOSPHATE PH 7.0 100 MM POTASSIUM CHLORIDE 3 MM SODIUM DITHIONITE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	potassium phosphate	10 (mM)
2	1	1		100 (mM)
3	1	1	sodium dithionite	3 (mM)
4	1	1	PEG6000	10.0 (%)
5	1	2	PEG6000	10.0-10.5 (%)
6	1	2	hemoglobin	10 (mg/ml)