4WCH

Structure of Isolated D Chain of Gigant Hemoglobin from Glossoscolex paulistus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.920
Spacegroup name	I 2 2 2
Unit cell lengths	53.110, 63.150, 78.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.968 - 2.050
R-factor	0.2096
Rwork	0.207
R-free	0.23390
RMSD bond length	0.005
RMSD bond angle	0.967
Data reduction software	XDS (0.3.8)
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.970	43.970	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.068	0.018	0.977
Rpim	0.036	0.010	0.524
Total number of observations	36867	495	2836
Number of reflections	8521
<I/σ(I)>	19.5	72	2.5
Completeness [%]	99.5	99.2	99.3
Redundancy	4.3	3.8	4.3
CC(1/2)	0.999	0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.5M Sodium Citrate