7QXF

Fructose-6-phosphate aldolase (FSA) mutant R134V, S166G, with covalently bound active site ligand

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	2018-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07227
Spacegroup name	C 1 2 1
Unit cell lengths	182.198, 176.865, 120.093
Unit cell angles	90.00, 91.50, 90.00

Refinement procedure

Resolution	49.710 - 2.620
R-factor	0.2216
Rwork	0.220
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l6w
RMSD bond length	0.007
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	2.710
High resolution limit [Å]	2.620	2.620
Rmerge	0.121	0.866
Rmeas	0.144
Rpim	0.077	0.575
Number of reflections	112831	10827
<I/σ(I)>	7.2	1
Completeness [%]	99.1	96.8
Redundancy	3.4	3.1
CC(1/2)	0.993	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2-1.6 M ammonium sulfate, 50-150 mM NaCl, 100 mM Tris or Bicine pH 8.5-8.75