6AXE

Crystal structure of a malate synthase G from Mycobacterium marinum bound to acetyl CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	78.600, 86.980, 124.130
Unit cell angles	90.00, 98.45, 90.00

Refinement procedure

Resolution	38.734 - 1.600
R-factor	0.1524
Rwork	0.152
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s9z
RMSD bond length	0.006
RMSD bond angle	0.814
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.734	38.734	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.049	0.025	0.452
Rmeas	0.057	0.029	0.540
Total number of observations	854923
Number of reflections	214046	2468	14154
<I/σ(I)>	14.33	31.57	2.09
Completeness [%]	98.4	96.9	88.1
Redundancy	3.994	3.912	3.013
CC(1/2)	0.999	0.998	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	MymaA.18344.a.B1.PS38275 at 23.7 mg/mL with 2 mM acetyl coenzyme A against JCSG+ screen condition H10 0.2 M ammonium acetate, 0.1 M BisTris pH 5.5, 25% PEG 3350 supplemented with 15% EG as cryo-protectant, crystal tracking ID 292651h10, unique puck ID ltv3-10