5VFB

1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	63.385, 111.712, 96.954
Unit cell angles	90.00, 100.42, 90.00

Refinement procedure

Resolution	29.620 - 1.360
R-factor	0.14453
Rwork	0.143
R-free	0.16782
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s9z
RMSD bond length	0.009
RMSD bond angle	1.446
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.380
High resolution limit [Å]	1.360	1.360
Rmerge	0.087	0.715
Rpim	0.047	0.426
Number of reflections	280381	13617
<I/σ(I)>	15.4	2.07
Completeness [%]	99.1	96.5
Redundancy	4.3	3.7
CC(1/2)		0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	Protein: 14.6 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: PACT (A7), 0.2M Sodium chloride, 0.1M Sodium acetate pH (5.0), 20% (w/v) PEG 6000.