5XYH

Crystal Structure of catalytic domain of 1,4-beta-Cellobiosidase (CbsA) from Xanthomonas oryzae pv. oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	46.142, 90.720, 99.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.517 - 1.864
R-factor	0.1913
Rwork	0.189
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b4h
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.049	0.183
Number of reflections	33848
<I/σ(I)>	31.69	7.75
Completeness [%]	93.9	89.4
Redundancy	6.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	polyethylene glycol 3350 citric acid