7MFL

Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	91.000, 91.000, 252.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.790 - 2.000
R-factor	0.1632
Rwork	0.162
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mfk
RMSD bond length	0.002
RMSD bond angle	0.518
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.067	0.514
Rmeas	0.023	0.643
Rpim	0.039	0.383
Number of reflections	77514	3675
<I/σ(I)>	17.9	1.9
Completeness [%]	97.4	78
Redundancy	7	3.8
CC(1/2)	0.999	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2.0 M ammonium sulfate, 3% glycerol