5A2X

Crystal structure of mtPAP in complex with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	287
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	61.064, 95.575, 191.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.290 - 3.100
R-factor	0.21462
Rwork	0.212
R-free	0.25965
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.049
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.160	1.160
Number of reflections	21101
<I/σ(I)>	11.3	1.4
Completeness [%]	99.9	100
Redundancy	8.2	6
CC(1/2)	0.990	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1