4QB2

Structure of CBM35 in complex with glucuronic acid

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]	120
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978583
Spacegroup name	P 21 21 21
Unit cell lengths	39.891, 47.552, 102.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.370 - 1.500
R-factor	0.15569
Rwork	0.155
R-free	0.16882
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qb1
RMSD bond length	0.022
RMSD bond angle	1.840
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.740	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.097	0.510
Number of reflections	32026
<I/σ(I)>	16	5.1
Completeness [%]	99.6	100
Redundancy	12.9	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG 6000, 0.2M Calcium chloride, 0.1M HEPES, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K