9GBY

Crystal structure of Pseudomonas aeruginosa IspD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	C 1 2 1
Unit cell lengths	90.570, 75.370, 37.430
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	33.170 - 1.500
R-factor	0.1872
Rwork	0.186
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.170	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.943
Rpim	0.018	0.424
Number of reflections	38206	14438
<I/σ(I)>	15.01	1.12
Completeness [%]	98.5	92.65
Redundancy	5.7	5.7
CC(1/2)	0.999	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES pH 6,5 26% Peg 500 MME