1RPS

Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Hemoglobin exposed to NO under anerobic conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1998-06-20
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.000, 99.300, 66.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.150 *
R-factor	0.18648
Rwork	0.181
R-free	0.23200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb id 1RQ3
RMSD bond length	0.022
RMSD bond angle	1.630 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.841	2.270
High resolution limit [Å]	2.150 *	2.150 *
Rmerge	0.087 *	0.254 *
Total number of observations	228410 *
Number of reflections	34068 *	5934 *
<I/σ(I)>	8.1	1.5
Completeness [%]	96.9	85.9 *
Redundancy	6.7 *	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7	298	10 mg/mL human hemoglobin, 10 mM potassium phosphate, 100 mM potassium chloride, 10-12% PEG 6000, 3 mM sodium dithionite (under anaerobic conditions), BATCH METHOD, temperature 298K, pH 7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	human hemoglobin	10 (mg/ml)	pH7.0
2	1	1	potassium phosphate	10 (mM)
3	1	1		100 (mM)
4	1	1	PEG6000	10-12 (%)
5	1	1	sodium dithionite	3 (mM)