8Q2I

Crystal structure of Ser33 in complex 2HG (2-hydroxyglutarate) and Serine

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	2020-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	107.292, 112.378, 117.358
Unit cell angles	64.99, 66.56, 67.18

Refinement procedure

Resolution	20.020 - 2.510
Rwork	0.236
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.020	2.600
High resolution limit [Å]	2.510	2.510
Number of reflections	146160	14197
<I/σ(I)>	10.55
Completeness [%]	97.2
Redundancy	3.5
CC(1/2)	0.997	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium citrate tribasic dihydrate 0.1 M Bis-Tris propane 8.5 20 % w/v PEG 3350 7.4 mg/ml of protein in 25 mM Tris pH=7.5 and 150 mM NaCl