6KVH

The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	44.361, 68.562, 88.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.930 - 1.200
R-factor	0.1253
Rwork	0.124
R-free	0.14970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kve
RMSD bond length	0.004
RMSD bond angle	0.795
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.930	1.241
High resolution limit [Å]	1.198	1.198
Rmerge	0.010	0.010
Rmeas	0.011	0.010
Rpim	0.010	0.010
Number of reflections	80946	6194
<I/σ(I)>	15.72	3.94
Completeness [%]	95.0	73.61
Redundancy	1.3	1
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.1 M citric acid (pH 3.5), 25% (w/v) polyethylene glycol 3350