8PUR

DexyHemoglobin structure from serial synchrotron crystallography with fixed target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	108.290, 63.060, 54.750
Unit cell angles	90.00, 111.01, 90.00

Refinement procedure

Resolution	53.504 - 1.850
Rwork	0.130
R-free	0.16220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.030
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.504	1.916
High resolution limit [Å]	1.850	1.850
Number of reflections	29515	1461
<I/σ(I)>	12.48	2.9
Completeness [%]	100.0
Redundancy	205
CC(1/2)	0.991	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293.15	26%v PEG3350, 10mM HEPES pH 7.5