5NMU

Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria

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	2015-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	81.607, 124.021, 118.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.580 - 2.150
R-factor	0.18105
Rwork	0.178
R-free	0.23419
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5npl
RMSD bond length	0.015
RMSD bond angle	1.695
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.700	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.039	0.384
Rpim	0.038	0.366
Number of reflections	32084	2725
<I/σ(I)>	14.8	2.5
Completeness [%]	97.6	96.3
Redundancy	3.4	3.5
CC(1/2)	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	292	300 mM Na Acetate, 25% PEG2000 MME, 100 mM HEPES buffer, pH 8.0, Vapor diffusion, Temperature 292K