4TM7

Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant soaked with CuSO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 32 1 2
Unit cell lengths	42.520, 42.520, 222.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.233 - 1.390
R-factor	0.1505
Rwork	0.149
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.266
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: dev_1394))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.233		1.470
High resolution limit [Å]	1.390	4.160	1.390
Rmerge	0.049	0.033	0.534
Rmeas		0.037	0.611
Number of reflections	90391	3363	14587
<I/σ(I)>	15.29	43.45	2.32
Completeness [%]	99.7	99.9	98.9
Redundancy	4.3		4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22.5% PEG 4000, 15% glycerol, 150mM (NH4)2SO4, 3mM CuSO4