9SD4

Human PGGHG crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	54.446, 77.302, 80.054
Unit cell angles	90.00, 98.94, 90.00

Refinement procedure

Resolution	55.340 - 2.390
R-factor	0.24356
Rwork	0.241
R-free	0.29305
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.050
Data scaling software	Aimless (0.7.13)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.340	2.480
High resolution limit [Å]	2.389	2.390
Rpim	0.139	0.442
Number of reflections	26127	2773
<I/σ(I)>	8.3	1.8
Completeness [%]	99.8	99.5
Redundancy	6.2	5.6
CC(1/2)	0.975	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	Precipitant ratio 1.5:1 Co-crystallized 5% (0.27 mM) Glucose Condition: 24% PEG 3350, 0.1 M Bis-Tris pH 5.5, and 0.2 M MgCl2