7ETY

Crystal structure of bifunctional indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase (trpC) from Corynebacterium glutamicum in complex with reduced 1-(O-carboxyphenylamino)-1-deoxyribulose 5-phosphate (rCdRP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	89.740, 98.163, 116.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.610 - 2.210
R-factor	0.1543
Rwork	0.151
R-free	0.20760
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.580
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.095	0.057	0.289
Rmeas	0.104	0.063	0.323
Rpim	0.042	0.025	0.141
Total number of observations	286005
Number of reflections	51884	2802	2540
<I/σ(I)>	12.3
Completeness [%]	99.1	98.7	98.7
Redundancy	5.5	6	4.7
CC(1/2)		0.997	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	22% (v/v) PEG 3350, 0.2M Magnesium chloride hexahydrate