6TVZ

Structure of a psychrophilic CCA-adding enzyme crystallized in the XtalController device

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9799
Spacegroup name	P 43 21 2
Unit cell lengths	70.530, 70.530, 291.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.280
R-factor	0.2162
Rwork	0.214
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qy6
RMSD bond length	0.009
RMSD bond angle	0.974
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.420
High resolution limit [Å]	2.280	2.280
Rmeas	0.086	1.260
Rpim	0.034	0.448
Number of reflections	34470	5385
<I/σ(I)>	15.5
Completeness [%]	1.0	98.5
Redundancy	6.9	7
CC(1/2)	1.000	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	A 10 micoliter drop of CCA-adding enzyme stock solution at 5 mg/ml in 0.05 M HEPES-NaOH pH 7.5, 0.1 M NaCl was incubated in the XtalController instrument. The crystallization was triggered by the gradual addition of crystallant solution (1 M diammonium phosphate, 0.1 M ammonium acetate pH 4.5).