5A2W

Crystal structure of mtPAP in complex with ATPgammaS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	287
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	61.636, 96.696, 192.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.070 - 2.500
R-factor	0.22702
Rwork	0.226
R-free	0.25302
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.969
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.080	1.870
Number of reflections	40683
<I/σ(I)>	13.9	1.3
Completeness [%]	99.9	100
Redundancy	8.2	8.7
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1