8Z6G

the AlgU-MucAcyto complex structure in Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9776
Spacegroup name	P 32
Unit cell lengths	126.525, 126.525, 42.841
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.525 - 2.101
R-factor	0.242877936787
Rwork	0.221
R-free	0.24534
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.988
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	4.520	2.180
High resolution limit [Å]	2.100	3.590	2.100
Rmerge	0.136	0.082	0.604
Rmeas	0.146	0.086	0.682
Rpim	0.051	0.028	0.307
Number of reflections	86935	4467	4330
<I/σ(I)>	4.3
Completeness [%]	99.5	100	97.1
Redundancy	7	8.6	4.4
CC(1/2)	0.995	0.998	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	10% 2-Propanol,0.1M BICINE, ph8.5 NaOH,30% PEG1500