4MSS

Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	48.760, 87.580, 67.210
Unit cell angles	90.00, 92.10, 90.00

Refinement procedure

Resolution	27.190 - 1.800
Rwork	0.135
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gnv
RMSD bond length	0.010
RMSD bond angle	1.344
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_1320))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.590	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	0.552
Number of reflections	51148
Completeness [%]	98.0	96.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	30% PEG8000, 0.1 M MES, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K