4NK8

Crystal Structure of the periplasmic alginate epimerase AlgG D317A 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	2012-04-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 32 2 1
Unit cell lengths	125.599, 125.599, 98.487
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.609 - 2.292
R-factor	0.2099
Rwork	0.208
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.292	4.950	2.292
Rmerge	0.110	0.074	0.724
Number of reflections	40515
<I/σ(I)>	11.3
Completeness [%]	100.0	100	99.7
Redundancy	23.7	31.3	19

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, VAPOR DIFFUSION, HANGING DROP, temperature 293K