6OMR

Crystal structure of PtmU3 complexed with PTN substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-01-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	I 2 2 2
Unit cell lengths	113.620, 122.420, 140.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.450
R-factor	0.1852
Rwork	0.182
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6omp
RMSD bond length	0.008
RMSD bond angle	1.548
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.450	6.630	2.450
Rmerge	0.053	0.020	0.890
Rmeas	0.057	0.022	0.958
Rpim	0.021	0.009	0.352
Total number of observations	267001
Number of reflections	36210	1939	1791
<I/σ(I)>	14.3
Completeness [%]	100.0	99.9	100
Redundancy	7.4	7	7.3
CC(1/2)		0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM Bis-Tris propane pH 7.0, 2.8 M Sodium acetate trihydrate, 4 mM Manganese