6Y88

IGPS (Indole-3-glycerol phosphate synthase) from Pseudomonas aeruginosa in complex with substrate inhibitor rCdRP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	164.705, 150.683, 114.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.043 - 2.100
R-factor	0.175092930297
Rwork	0.173
R-free	0.21806
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tsm
RMSD bond length	0.012
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.099	2.099
Number of reflections	321139	51980
<I/σ(I)>	7.61	1.73
Completeness [%]	100.0
Redundancy	7.03
CC(1/2)	0.994	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.4	281.15	0.07 M Citric acid, 0.03 M Bis-Tris propane pH 3.4 (Condition G12 from PEG/Ion screen from Hampton Research)