4OZW

Crystal Structure of the periplasmic alginate lyase AlgL H202A mutant

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	2011-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	56.406, 59.437, 102.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.371 - 1.640
R-factor	0.1691
Rwork	0.168
R-free	0.19190
RMSD bond length	0.006
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

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	0.090	0.074	0.262
Total number of observations	644419
Number of reflections	42819
<I/σ(I)>	20.6
Completeness [%]	99.4	100	94
Redundancy	15	19.2	12.8

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, 26%(w/v) PEG 4000, 0.01 M Taurine