7CCG

Crystal structure of ClA1, a kind of a chlorinase from soil bacteria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	H 3
Unit cell lengths	96.511, 96.511, 76.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 1.850
R-factor	0.2031
Rwork	0.201
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rz2
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Rmeas	0.046	0.854
Number of reflections	22423	1111
<I/σ(I)>	39.19	1.555
Completeness [%]	99.6
Redundancy	5.1
CC(1/2)	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289.15	0.1 M potassium chloride, 0.1 M sodium HEPES pH7.5, 15% w/v PEG 6000