4GI0

Crystal structure of CD23 lectin domain mutant E249A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 41 2 2
Unit cell lengths	63.320, 63.320, 261.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.360 - 2.270
R-factor	0.2075
Rwork	0.205
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h2r
RMSD bond length	0.010
RMSD bond angle	1.375
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.400	2.400
High resolution limit [Å]	2.270	2.270
Number of reflections	25713
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2M potassium thiocyanate, 0.1M bis tris propane pH 8.5, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K