8HMQ

Crystal Structure of PKM2 mutant P403A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2022-08-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97989
Spacegroup name	P 21 21 21
Unit cell lengths	99.829, 136.839, 149.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.500
R-factor	0.2159
Rwork	0.213
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gr4
RMSD bond length	0.004
RMSD bond angle	0.658
Data reduction software	XDS (1.20.1_4487)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.330	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	71344	4528
<I/σ(I)>	17.3
Completeness [%]	100.0
Redundancy	8.2
CC(1/2)	0.990	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M PCTP buffer, pH 7.0, 25 % w/v PEG 1500