7MFK

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	90.610, 90.610, 252.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.660 - 2.130
R-factor	0.1884
Rwork	0.186
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vcb
RMSD bond length	0.003
RMSD bond angle	0.623
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	2.180
High resolution limit [Å]	2.130	2.130
Rmerge	0.112	0.434
Rmeas	0.127	0.517
Rpim	0.056	0.270
Number of reflections	65218	4571
<I/σ(I)>	7.5	3.4
Completeness [%]	99.8
Redundancy	4.6
CC(1/2)	0.987	0.769

Crystallization Conditions

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