6DQX

Actinobacillus ureae class Id ribonucleotide reductase alpha subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 42 21 2
Unit cell lengths	97.984, 97.984, 132.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.760
R-factor	0.1932
Rwork	0.192
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dqw
RMSD bond length	0.010
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.790
High resolution limit [Å]	1.760	4.780	1.760
Rmerge	0.053	0.030	0.540
Rmeas	0.058	0.033	0.605
Rpim	0.022	0.013	0.267
Total number of observations	450739
Number of reflections	62864	3371	2722
<I/σ(I)>	11.9
Completeness [%]	97.8	95.8	86
Redundancy	7.2	6.6	4.8
CC(1/2)		0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	16% PEG 4000, 0.2 M magnesium chloride, 0.1 M tris base pH 8.5