1Y7C

T-To-T(High) quaternary transitions in human hemoglobin: betaP100A deoxy low-salt (1 test set)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	177
Detector technology	IMAGE PLATE
Collection date	2001-05-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.100, 100.200, 65.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
Rwork	0.207
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0t
RMSD bond length	0.013
RMSD bond angle	0.030
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.300	2.270
High resolution limit [Å]	2.100	2.100
Rmerge	0.046	0.175
Number of reflections	34509
<I/σ(I)>	12.2	3.9
Completeness [%]	91.2	81.4
Redundancy	2.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	7	298	10% PEG 6000, 10 mM potassium phosphate, 100 mM potassium chloride, 3 mM sodium dithionite, 10 mg/ml Hb, pH 7.0, batch, temperature 298K