7NWO

A carbohydrate binding module family 9 (CBM9) from Caldicellulosiruptor kristjanssonii in complex with glucose

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	I 4 3 2
Unit cell lengths	172.610, 172.610, 172.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.830 - 2.700
Rwork	0.256
R-free	0.33420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8u
RMSD bond length	0.003
RMSD bond angle	1.046
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.878	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	12395	1210
<I/σ(I)>	17.11
Completeness [%]	100.0
Redundancy	21.7
CC(1/2)	0.999	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	0.1 M phosphate-citrate and 40% polyethylene glycol 300