5NPL

Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria, Yb-derivative at 2.8 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.385
Spacegroup name	C 2 2 21
Unit cell lengths	79.890, 120.734, 117.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.790
R-factor	0.18764
Rwork	0.186
R-free	0.21948
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.779
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.000	2.870
High resolution limit [Å]	2.790	2.790
Rmerge	0.095	0.630
Number of reflections	13464
<I/σ(I)>	14.5	1.77
Completeness [%]	97.8	61.2
Redundancy	6.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	292	300 MM NA ACETATE, 20% PEG2000 MME, REMARK 280 100 MM HEPES BUFFER, PH 8.0; before data collection crystals were soaked for 30 min in a solution containing 25% PEG2000MME, 0.2 M sodium acetate, 0.1 M HEPES, pH 8.0 and 0.1 M Yb-HPDO3A