7NWQ

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

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-F
Wavelength(s)	1.000000
Spacegroup name	I 4 3 2
Unit cell lengths	172.490, 172.490, 172.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.518 - 2.231
Rwork	0.185
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8u
RMSD bond length	0.010
RMSD bond angle	1.734
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.520	2.290
High resolution limit [Å]	2.230	2.230
Number of reflections	21538	1498
<I/σ(I)>	26.89
Completeness [%]	99.6
Redundancy	71.8
CC(1/2)	1.000	0.449

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