7LA1

Crystal structure of phosphoglycerate kinase from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-27
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	77.840, 111.170, 99.270
Unit cell angles	90.00, 101.87, 90.00

Refinement procedure

Resolution	44.900 - 1.600
R-factor	0.1643
Rwork	0.164
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vpe
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19rc4-4035)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.900	44.900	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.055	0.037	0.606
Rmeas	0.064	0.043	0.703
Total number of observations	842708
Number of reflections	216586	2460	15965
<I/σ(I)>	12.9	28.02	2.06
Completeness [%]	99.7	98.1	99.7
Redundancy	3.891	3.639	3.882
CC(1/2)	0.998	0.996	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	MyavA.01331.a.AE1.PW38721 at 8.6 mg/ml was mixed 1:1 with 25% (w/v) PEG3350 and 100 mM Bis-Tris/HCl pH 5.5 (JCSG+ H3). Stored at 14C. Cryo: 15% EG. Tray 313861h3: puck vml2-8.