8VYL

The structure of Human Hemoglobin in Complex with Nanobody BtNbE11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	188.761, 74.837, 57.875
Unit cell angles	90.00, 91.44, 90.00

Refinement procedure

Resolution	49.890 - 2.020
R-factor	0.2108
Rwork	0.208
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.723
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX ((1.20.1_4487: ???))
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.890	2.080
High resolution limit [Å]	2.020	2.020
Rmerge	0.116	1.265
Rpim	0.072	0.775
Number of reflections	52426	3697
<I/σ(I)>	8.3	1
Completeness [%]	99.6
Redundancy	7
CC(1/2)	0.998	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1-0.3M NH4 Acet. pH 5.5, 0.1-0.3M Na Acet., 25% w/v PEG3350