4Y25

Bacterial polysaccharide outer membrane secretin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 63 2 2
Unit cell lengths	143.972, 143.972, 90.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.448 - 2.821
R-factor	0.2372
Rwork	0.232
R-free	0.28310
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.933
Phasing software	PHENIX ((phenix.refine: 1.8.4_1496))
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.920
High resolution limit [Å]	2.800	2.820
Number of reflections	13051
<I/σ(I)>	28.9	1.9
Completeness [%]	94.4	91.8
Redundancy	10.9	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	0.1M NaOAc, pH 4.5, 31% MPD, 0.4M NaCl, 0.3M NDSB-195