4TM8

Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	176.310, 176.310, 38.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.754 - 1.810
R-factor	0.1763
Rwork	0.175
R-free	0.20140
RMSD bond length	0.011
RMSD bond angle	1.287
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: dev_1394))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.754		1.920
High resolution limit [Å]	1.810	5.400	1.810
Rmerge	0.048	0.040	0.612
Rmeas	0.050	0.042	0.641
Total number of observations	318419
Number of reflections	27962	1177	4399
<I/σ(I)>	26.93	59	4
Completeness [%]	99.8	99.7	98.8
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% polyethylene glycol 1000, 0.2 M Li2SO4, 0.1M phosphate/citrate