4MQG

Structure of Carbonmonoxy Adult Hemoglobin Bristol-Alesha alphawtbetaV67M

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
Spacegroup name	P 41 21 2
Unit cell lengths	53.430, 53.430, 192.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.480 - 1.680
R-factor	0.203
Rwork	0.199
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2dn3
RMSD bond length	0.019
RMSD bond angle	1.068
Data reduction software	d*TREK (9.9.9.4 W9RSSI)
Data scaling software	d*TREK
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.480	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.127	0.420
Number of reflections	24312
<I/σ(I)>	10.1	2.3
Completeness [%]	74.0	17.2
Redundancy	10.13	3.52

Crystallization Conditions

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