6FV3

Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase from Mycobacterium smegmatis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	60.450, 86.390, 89.930
Unit cell angles	88.12, 75.58, 69.79

Refinement procedure

Resolution	51.951 - 2.580
R-factor	0.2496
Rwork	0.247
R-free	0.29510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p50
RMSD bond length	0.005
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2747: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.230	2.630
High resolution limit [Å]	2.580	2.580
Rmerge	0.173	0.902
Rmeas	0.245	0.059
Rpim	0.173	0.902
Number of reflections	51044	555
<I/σ(I)>	4.3	1
Completeness [%]	98.2	98
Redundancy	2.6	2.7
CC(1/2)	0.960	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295.15	NagA crystals grew in a condition containing 0.12 M monosaccharide mix (Morpheus, Molecular Dimensions), 0.1 M imidazole/MES pH 6.5, 20 % PEG 500 MME, 10 % w/v PEG 20000 with the addition of 10 mM CdCl2 additive.