5NVD

Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form

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	2016-12-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 63 2 2
Unit cell lengths	98.235, 98.235, 100.619
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.070 - 2.500
R-factor	0.20038
Rwork	0.199
R-free	0.23446
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nmu
RMSD bond length	0.014
RMSD bond angle	1.732
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.620	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	1.354
Rpim	0.027	0.462
Number of reflections	10477	1142
<I/σ(I)>	23.4	2.6
Completeness [%]	99.9	99.2
Redundancy	18.5	17.6
CC(1/2)	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Protein at 6.08 mg/ml in 50 mM Bicine/KOH pH 7.8, 40 mM KCl, 0.132 mM AMP solution was mixed with reservoir solution containing 0.15 M KSCN, 0.1 M HEPES pH 7.0 and 18% PEG3350 containing 0.1 mM Guanidine hydrochloride. Cryoprotector - reservoir solution with 25% ethylene glycol.