6IGB

the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	91.763, 91.763, 170.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.697 - 1.651
R-factor	0.1963
Rwork	0.196
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qrj
RMSD bond length	0.018
RMSD bond angle	1.542
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	1.710
High resolution limit [Å]	1.651	1.651
Rmerge	0.178	0.807
Number of reflections	88173	8687
<I/σ(I)>	18.692
Completeness [%]	100.0
Redundancy	17.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Ammonium sulphate, 0.1M Sodium acetate pH 4.6,30% PEG 2000