1GZX

Oxy T State Haemoglobin - Oxygen bound at all four haems

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277.15
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 2
Unit cell lengths	97.050, 99.500, 66.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.195
Rwork	0.199
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDN ENTRY 1HGA
RMSD bond length	0.018 *
RMSD bond angle	0.058 *
Data reduction software	MOSFLM
Data scaling software	ROTAVATA
Phasing software	PROLSQ
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.250
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.309
Total number of observations	255870 *
Number of reflections	35441
<I/σ(I)>	6.1	2.3
Completeness [%]	95.0	85
Redundancy	4.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.2	4 *	BATCH CRYSTALLISATION, OXYHB (75-90 MG/ML) IN 50MM POTASSIUM PHOSPHATE (PH 7.2), 22-28% PEG 8000 AND A 5 MOLAR EXCESS OF THE ALLOSTERIC EFFECTOR IHP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	75-90 (mg/ml)
2	1	1	potassium phosphate	50 (mM)	pH7.2
3	1	1	PEG8000	22-28 (%(w/v))