8AKP

Crystal structure of the catalytic domain of G7048 from Penicillium sumatraense

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 2
Unit cell lengths	79.220, 87.300, 42.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.650 - 1.900
R-factor	0.1659
Rwork	0.164
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wtp
RMSD bond length	0.006
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.650	1.940
High resolution limit [Å]	1.900	1.900
Rmerge		0.610
Rmeas	0.090
Number of reflections	23992	1519
<I/σ(I)>	18.5	4.6
Completeness [%]	100.0	100
Redundancy	11.4	11.6
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.4M Na Citrate tribasic dihydrate 0.1M; Tris HCl