6NZX

Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)

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	2018-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	P 63
Unit cell lengths	72.170, 72.170, 22.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.22266
Rwork	0.221
R-free	0.26067
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j03
RMSD bond length	0.010
RMSD bond angle	2.350
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.620	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.179	2.100
Rmeas	0.183	2.152
Rpim	0.040	0.470
Number of reflections	5554	363
<I/σ(I)>	15.8	1.7
Completeness [%]	100.0	100
Redundancy	20.7	20.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	296.15	0.1M sodium citrate, 2M ammonium sulfate, pH 5.0