7P4M

Structure of the quinolinate synthase Y107F variant in an empty open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9760
Spacegroup name	P 1 21 1
Unit cell lengths	55.442, 49.051, 60.809
Unit cell angles	90.00, 106.83, 90.00

Refinement procedure

Resolution	46.480 - 1.550
R-factor	0.1355
Rwork	0.133
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f35
RMSD bond length	0.005
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.050	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.028	0.498
Number of reflections	44673	4354
<I/σ(I)>	14.7
Completeness [%]	98.1
Redundancy	2.6
CC(1/2)	0.996	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, NaF, Bis Tris propane, anaerobic, pH 6.5