6YGT

Crystal structure of variant T52P of the intracellular chorismate mutase from Mycobacterium tuberculosis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 43 21 2
Unit cell lengths	59.590, 59.590, 46.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.698 - 1.635
Rwork	0.240
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mpv
RMSD bond length	0.011
RMSD bond angle	1.711
Data reduction software	XDS (Mar 15, 2019 BUILT=20191211)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (Phaser-2.8.3 (svn 8432))
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.698	1.716
High resolution limit [Å]	1.635	1.635
Rmerge	0.075
Rmeas	0.081
Rpim	0.029
Number of reflections	9569	478
<I/σ(I)>	15.7
Completeness [%]	88.1	33.4
Redundancy	8.7	9.8
CC(1/2)	0.995	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.2 M Sodium malonate, 0.1 M Bis Tris propane pH=8.5, 20% w/v PEG 3350