6CGN

X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit dAMP-bound (pH 7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	72.266, 72.266, 292.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.260
R-factor	0.2212
Rwork	0.220
R-free	0.24570
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.300
High resolution limit [Å]	2.260	6.130	2.260
Rmerge	0.181	0.036	1.846
Rmeas	0.188	0.038	1.915
Rpim	0.050	0.010	0.506
Number of reflections	37643	2156	1794
<I/σ(I)>	5.2
Completeness [%]	100.0	100	100
Redundancy	14	12.7	14.2
CC(1/2)		0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M HEPES (pH 7.0), 10% (w/v) PEG 6000, 9 mM TCEP