7VVC

Crystal structure of inactive mutant of leaf-branch compost cutinase variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-08
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 21 21 21
Unit cell lengths	41.429, 84.702, 147.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.820
R-factor	0.1534
Rwork	0.151
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ds7
RMSD bond length	0.011
RMSD bond angle	1.637
Data reduction software	SAINT
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.890
High resolution limit [Å]	1.820	1.850
Rmerge	0.076	0.250
Rmeas	0.085	0.295
Rpim	0.038	0.155
Number of reflections	45015	2722
<I/σ(I)>	12.4
Completeness [%]	99.8	99.2
Redundancy	4.8	3.5
CC(1/2)	0.997	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	Ammonium Acetate,Sodium Acetate trihydrate,Polyethylene Glycol 4000, Glycerol