5D4P

Structure of CPII bound to ADP and bicarbonate, 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	49.810, 76.160, 87.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.338 - 2.200
R-factor	0.1968
Rwork	0.191
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d4l
RMSD bond length	0.008
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.570		2.260
High resolution limit [Å]	2.200	9.830	2.200
Rmerge	0.077	0.031	0.597
Rmeas	0.085	0.033	0.658
Total number of observations	98900
Number of reflections	17217	198	1177
<I/σ(I)>	14.98	50.66	2.96
Completeness [%]	97.8	84.3	91.9
Redundancy	5.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	298	1.0 M Citrate, 0.1 M imidazole pH 8.0