6PLJ

A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	50.656, 61.418, 72.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.790 - 1.590
R-factor	0.1727
Rwork	0.171
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hv9
RMSD bond length	0.008
RMSD bond angle	1.377
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.790	46.790	1.620
High resolution limit [Å]	1.590	8.720	1.590
Rmerge	0.090	0.041	0.870
Total number of observations	446457	2635	19664
Number of reflections	30884	236	1458
<I/σ(I)>	21.7	53.9	3.6
Completeness [%]	99.8	99.9	96.1
Redundancy	14.5	11.2	13.5
CC(1/2)	0.999	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2.0 M Ammonium sulfate, 0.1 M Bis-Tris, 0.1 M Potassium sodium tartrate tetrahydrate