5D4N

Structure of CPII bound to ADP, AMP and acetate, from Thiomonas intermedia K12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	51.530, 75.410, 79.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.730 - 1.600
R-factor	0.2127
Rwork	0.211
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d4l
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.7)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.730		1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.038	0.022	0.852
Rmeas	0.041	0.024	0.927
Total number of observations	267556
Number of reflections	41577	544	2984
<I/σ(I)>	21.38	59.77	1.91
Completeness [%]	99.5	100	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.9	298	0.1 M acetate pH 4.6, 30% PEG 2000, 0.2 M Ammonium sulfate