8RMW

Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	181.053, 79.090, 59.194
Unit cell angles	90.00, 92.01, 90.00

Refinement procedure

Resolution	90.471 - 1.650
Rwork	0.194
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.712
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.471	90.470	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.091	0.020	2.398
Rmeas	0.108	0.023	2.828
Rpim	0.057	0.012	1.488
Number of reflections	100251	654	4908
<I/σ(I)>	8.9
Completeness [%]	100.0
Redundancy	6.8	6.6	6.9
CC(1/2)	0.999	1.000	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295.15	0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 20 % (v/v) ethylene glycol, 10 % (w/v) PEG 8000, 0.1 M sodium (HEPES-MOPS)