4MQJ

Structure of Wild-type Fetal Human Hemoglobin HbF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07
Spacegroup name	P 1 21 1
Unit cell lengths	105.651, 52.427, 106.153
Unit cell angles	90.00, 113.84, 90.00

Refinement procedure

Resolution	45.137 - 1.800
R-factor	0.1805
Rwork	0.180
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	0.930
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.830
High resolution limit [Å]	1.800	4.890	1.800
Rmerge	0.073	0.046	0.439
Number of reflections	99805
<I/σ(I)>	13
Completeness [%]	99.7	97.4	99.2
Redundancy	7.4	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7	298	Protein crystallized from 1.9M Sodium/Potassium Phosphate, pH 7.0, Batch method, temperature 298K, LIQUID DIFFUSION