2XR4

C-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 65
Unit cell lengths	100.814, 100.814, 47.313
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	87.370 - 1.900
R-factor	0.15781
Rwork	0.156
R-free	0.19938
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bv4
RMSD bond length	0.014
RMSD bond angle	1.475
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.000
High resolution limit [Å]	0.930	1.900
Rmerge	0.050	0.020
Number of reflections	21834
<I/σ(I)>	11.3	2.8
Completeness [%]	97.5	86
Redundancy	6.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		100 MM SODIUM CITRATE PH 5.5, 2.5 M AMMONIUM SULPHATE.