8PIR

Crystal structure of Ser33 in complex with 3-PGA (3-phosphoglycerate)

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	2021-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	60.599, 95.726, 109.252
Unit cell angles	69.92, 89.53, 86.06

Refinement procedure

Resolution	60.450 - 2.700
R-factor	0.217
Rwork	0.215
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.662
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.450	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	61940	6232
<I/σ(I)>	13.01	2.61
Completeness [%]	97.7
Redundancy	3.5
CC(1/2)	0.998	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M 1,6-Hexanediol; 0.2M 1-Butanol; 0.2M 1,2-Propanediol; 0.2M 2-Propanol; 0.2M 1,4-Butanediol; 0.2M 1,3-Propanediol 0.1M Sodium HEPES; MOPS (acid) pH=7.5 20% v/v Glycerol; 10% w/v PEG 4000 7.4 mg/ml of protein in 25 mM Tris pH=7.5 and 150 mM NaCl