7CWQ

Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36

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	2019-10-29
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	69.967, 69.967, 381.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.890 - 1.650
R-factor	0.1663
Rwork	0.165
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xfy
RMSD bond length	0.010
RMSD bond angle	1.491
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.211	0.132
Rmeas	0.214	0.134
Rpim	0.110	0.023
Total number of observations	2071637
Number of reflections	68361	7477	6689
<I/σ(I)>	3.3
Completeness [%]	100.0	100	100
Redundancy	30.3	34.8	13.5
CC(1/2)		0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	Polyethylene Glycol 6000, Glycerol, MES