1Y7D

T-To-T(High) quaternary transitions in human hemoglobin: betaP100G 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	2001-06-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.000, 99.600, 65.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
Rwork	0.205
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y0t
RMSD bond length	0.013
RMSD bond angle	0.028
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.200	2.050
High resolution limit [Å]	1.900	1.900
Rmerge	0.052	0.284
Number of reflections	46698
<I/σ(I)>	11.2	2.3
Completeness [%]	92.6	82.8
Redundancy	3	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