6RU0

Light-Regulation of Imidazole Glycerol Phosphate Synthase by Interference with its Allosteric Machinery through Photo-Sensitive Unnatural Amino Acids

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-24
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	95.415, 95.415, 165.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.964 - 2.648
R-factor	0.2104
Rwork	0.207
R-free	0.27210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	2.743
High resolution limit [Å]	2.648	2.648
Rmerge	0.105	1.782
Rmeas	0.110	1.881
Rpim	0.034	0.598
Number of reflections	49035	4795
<I/σ(I)>	17.15	1.1
Completeness [%]	99.7	98.06
Redundancy	10.4	9.6
CC(1/2)	0.999	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG