4OZV

Crystal Structure of the periplasmic alginate lyase AlgL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	56.384, 59.576, 102.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.951 - 1.642
R-factor	0.1775
Rwork	0.177
R-free	0.19400
RMSD bond length	0.006
RMSD bond angle	0.961
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.640	3.530	1.640
Rmerge	0.089	0.048	0.556
Total number of observations	542308
Number of reflections	40935
<I/σ(I)>	9
Completeness [%]	95.2	100	71.2
Redundancy	13.2	13.4	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 4.6, 28%(w/v) PEG 4000, 0.3 M PIPES, polymannuronate trisaccharide