7KC3

X-ray structure of Lfa-1 I domain collected at 273 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2013-09-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.116
Spacegroup name	P 32 2 1
Unit cell lengths	104.896, 104.896, 51.644
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.420 - 1.800
R-factor	0.1767
Rwork	0.174
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f74
RMSD bond length	0.010
RMSD bond angle	1.069
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.420	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.120	1.775
Rmeas	0.132
Rpim	0.053	0.920
Number of reflections	30598	2961
<I/σ(I)>	10.55	0.64
Completeness [%]	91.9	74.72
Redundancy	6	4.5
CC(1/2)	0.995	0.296

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	30% (w/v) PEG 3350 and 0.1 M potassium phosphate dibasic