9GCE

Ang-1 domain of the HupE/UreJ-2 protein from Rhodobacteraceae bacterium RbAng-1a with Cu bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 32 2 1
Unit cell lengths	79.593, 79.593, 63.453
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.680 - 2.250
Rwork	0.216
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.371
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.77))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.680	46.680	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.136	0.130	1.626
Rmeas	0.144	0.137	1.732
Rpim	0.046	0.043	0.593
Number of reflections	11371	212	1028
<I/σ(I)>	12.8	28	2
Completeness [%]	100.0	99.6	100
Redundancy	17.7	16.1	16.2
CC(1/2)	0.995	0.993	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Zn sulfate, MES, polyethylene glycol monomethyl ether 550.