2RJK

Crystal Structure of Human TL1A Extracellular Domain C95S Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97910
Spacegroup name	P 41 3 2
Unit cell lengths	118.226, 118.226, 118.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.800 - 2.300
R-factor	0.21332
Rwork	0.212
R-free	0.26507
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qe3
RMSD bond length	0.019
RMSD bond angle	1.682
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.878
Number of reflections	13160
<I/σ(I)>	40.5	3.33
Completeness [%]	99.9	100
Redundancy	22	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	10 MM CACL2, 100 MM TRIS, PH 8.50, 20% METHONAL, VAPOR DIFFUSION, SITTING DROP, TEMPERATUR 290K, temperature 298.0K