5LGJ

THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-10
Detector	ADSC QUANTUM 1
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	129.450, 74.910, 79.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 2.600
R-factor	0.1909
Rwork	0.188
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqr
RMSD bond length	0.007
RMSD bond angle	1.070
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.500	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.095	0.611
Number of reflections	24092
<I/σ(I)>	6.8
Completeness [%]	99.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	16% w/v PEG 8,000, 0.1M Tris-HCl pH 8.5, 0.2 M lithium sulfate