6SVA

Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-07-18
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	108.515, 62.992, 54.591
Unit cell angles	90.00, 111.05, 90.00

Refinement procedure

Resolution	50.640 - 1.920
R-factor	0.1424
Rwork	0.141
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c6e
RMSD bond length	0.018
RMSD bond angle	1.431
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.640	2.110	1.950
High resolution limit [Å]	1.920	2.110	1.920
Rmerge	0.047	0.383	0.631
Rmeas	0.060	0.541	0.893
Rpim	0.038	0.383	0.631
Number of reflections	21606	139	129
<I/σ(I)>	10.2	1.7
Completeness [%]	45.6	10.6	9.9
Redundancy	1.6	1	1
CC(1/2)	0.994	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium Sulphate 20% PEG 3350