4OZZ

Crystal Structure of the periplasmic alginate epimerase AlgG T265N T268M double 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	2011-07-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 32 2 1
Unit cell lengths	125.032, 125.032, 98.447
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.440 - 2.900
R-factor	0.1735
Rwork	0.169
R-free	0.21670
RMSD bond length	0.008
RMSD bond angle	1.228
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.110	0.051	0.574
Total number of observations	514369
Number of reflections	20079
<I/σ(I)>	9.1
Completeness [%]	100.0	100	100
Redundancy	25.6	31.4	21.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.26 M (NH4)2SO4, 0.1 M HEPES pH 7.5