5TCB

Structure of the glycoside hydrolase domain of PelA from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2013-01-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	64.983, 84.031, 47.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.535
R-factor	0.1699
Rwork	0.169
R-free	0.19170
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.935
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	1.970	1.580
High resolution limit [Å]	1.530	1.900	1.530
Rmerge	0.181	0.625	0.443
Number of reflections	39286
<I/σ(I)>	18.6	4.5	6.6
Completeness [%]	99.9	99.7	99.5
Redundancy	17	13.4	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25% (w/v) PEG 5000 MME, 100 mM Bis-Tris pH 7.5
2	VAPOR DIFFUSION, HANGING DROP	7.5	293	26% (w/v) PEG 5000 MME, 100 mM Bis-Tris pH 7.5