7Q3C

Ribonucleotide Reductase AaR2 protein from Aquifex aeolicus

This is a non-PDB format compatible entry.

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	2021-09-21
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	69.183, 69.183, 177.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.968 - 2.150
Rwork	0.247
R-free	0.31450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ail
RMSD bond length	0.003
RMSD bond angle	1.194
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.968	2.220
High resolution limit [Å]	2.150	2.150
Number of reflections	24392	2058
<I/σ(I)>	24.6
Completeness [%]	100.0
Redundancy	25.1
CC(1/2)	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M citrate pH 4.0, 1.0 M lithium chloride, 20 % PEG6000