4NEM

Small molecular fragment bound to crystal contact interface of Interleukin-2

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	2011-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075000
Spacegroup name	P 21 21 21
Unit cell lengths	31.709, 48.544, 79.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.468 - 1.934
R-factor	0.2093
Rwork	0.207
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.942
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.930
Number of reflections	9626
Completeness [%]	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	34% PEG 8K, 0.1 M NaOAc, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K