7PD5

Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	I 41
Unit cell lengths	100.272, 100.272, 123.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.650 - 1.950
R-factor	0.1877
Rwork	0.187
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p8g
RMSD bond length	0.007
RMSD bond angle	0.886
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]	46.650	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	44461	14143
<I/σ(I)>	15.5	0.6
Completeness [%]	99.9	99.9
Redundancy	4.5	4.5
CC(1/2)	1.000	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M Bis-Tris pH 5.5 3 M NaCl