5F5J

E.coli GlpG Y205F mutant complexed with aldehyde inhibitor in DMPC/CHAPSO bicelle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.972
Spacegroup name	C 2 2 21
Unit cell lengths	70.570, 97.950, 62.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.400
R-factor	0.235
Rwork	0.234
R-free	0.26700
RMSD bond length	0.012
RMSD bond angle	1.405
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall
Low resolution limit [Å]	56.750
High resolution limit [Å]	2.300
Number of reflections	9921
<I/σ(I)>	5.8
Completeness [%]	99.8
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	3M NaCl, 0.1M Sodium acetate pH 4.5, 5% Glycerol, 7% DMPC/CHAPSO bicelle