5F1F

Crystal structure of CMY-10 adenylylated by acetyl-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	49.874, 59.342, 111.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.180 - 1.548
R-factor	0.1673
Rwork	0.166
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zkj
RMSD bond length	0.013
RMSD bond angle	1.453
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.548
Number of reflections	44969
<I/σ(I)>	62
Completeness [%]	96.4
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	Cadmium chloride, Na-Cacodylate, PEG 400