7PHO

Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde

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	2019-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 21 21 21
Unit cell lengths	70.548, 90.542, 95.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.650 - 1.270
R-factor	0.1459
Rwork	0.145
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p5l
RMSD bond length	0.008
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.654	1.290
High resolution limit [Å]	1.268	1.268
Rmerge	0.036	1.115
Rmeas	0.040	1.248
Rpim	0.017	0.552
Number of reflections	161347	8041
<I/σ(I)>	18.2	1.1
Completeness [%]	99.9	100
Redundancy	5.4	5
CC(1/2)	1.000	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	293	0.15 M DL-Malic Acid pH 7.1; 20% PEG 3350