7YLQ

Crystal structure of Microcystinase C from Sphingomonas sp. ACM-3962 at 2.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	273
Detector technology	CCD
Collection date	2019-01-01
Detector	MAR CCD 130 mm
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	138.430, 138.430, 275.572
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.830 - 2.680
R-factor	0.233
Rwork	0.231
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iuu
RMSD bond length	0.011
RMSD bond angle	1.458
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.830
High resolution limit [Å]	2.680
Rmerge	0.056
Number of reflections	44455
<I/σ(I)>	25.5
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Sodium chloride, BTP, PEG 20,000, CaCl2, EDTA