7B7A

ENDO-POLYGALACTURONASE FROM ARABIDOPSIS THALIANA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100.15
Detector technology	PIXEL
Collection date	2018-03-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1
Unit cell lengths	38.970, 41.830, 63.330
Unit cell angles	93.25, 99.86, 114.95

Refinement procedure

Resolution	34.500 - 1.300
R-factor	0.1437
Rwork	0.142
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rmg
RMSD bond length	0.012
RMSD bond angle	1.531
Data reduction software	Aimless
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.500	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.076	0.777
Rpim	0.026	0.320
Number of reflections	83670	8043
<I/σ(I)>	16.2
Completeness [%]	96.2	92.1
Redundancy	9.1
CC(1/2)	0.999	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	0.2 M Sodium fluoride, 0.1 M Bis-Tris propane pH 8.5, 20 % w/v PEG 3350 (H1 condition, PACT premier plate)