7BF0

Zn-bound domain 3 of CDCA1 in complex with carbon dioxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999995
Spacegroup name	C 1 2 1
Unit cell lengths	119.576, 62.712, 75.018
Unit cell angles	90.00, 119.78, 90.00

Refinement procedure

Resolution	50.000 - 1.600
Rwork	0.215
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uk8
RMSD bond length	0.009
RMSD bond angle	1.535
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.066	0.041	0.443
Rmeas	0.068	0.043	0.474
Rpim	0.019	0.012	0.162
Number of reflections	61450	3274	2449
<I/σ(I)>	14.6	50.6	3.9
Completeness [%]	97.0	100	78
Redundancy	11.6	12.6	7.1
CC(1/2)	0.999	0.999	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	28% (w/v) PEG2000, 20 mM lithium sulfate, 100 mM sodium citrate