6JQ9

Crystal structure of a lyase from Alteromonas sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-26
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.048, 121.768, 124.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.890 - 1.810
R-factor	0.238
Rwork	0.235
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.697
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.128	0.072	0.865
Rmeas	0.131	0.074	0.884
Rpim	0.026	0.015	0.181
Total number of observations	2791147
Number of reflections	114029	11888	11247
<I/σ(I)>	6.6
Completeness [%]	100.0	100	100
Redundancy	24.5	24.1	23.2
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	CaAcc2, PEG 8000, Nacacodylate