6Y0M

Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92
Spacegroup name	P 6 2 2
Unit cell lengths	115.186, 115.186, 45.752
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.877 - 1.500
R-factor	0.1705
Rwork	0.168
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g9a
RMSD bond length	0.013
RMSD bond angle	1.316
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.880	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.109
Rpim	0.018	0.538
Number of reflections	29150
<I/σ(I)>	24.7	1.7
Completeness [%]	99.9	99.7
Redundancy	39	35.5
CC(1/2)	0.998	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M sodium-cacodylate pH 6.5, 1M tri-sodium-citrate Crystals were soaked with a solution of 0.1M sodium-cacodylate at pH 7.1, 1.4M tri-sodium-citrate and 10mM CaCl2 for four days before harvesting which also served as a cryoprotectant.