5EIR

Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.

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	PIXEL
Collection date	2011-05-15
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9173
Spacegroup name	P 21 2 21
Unit cell lengths	38.250, 52.120, 123.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.029 - 2.690
R-factor	0.2489
Rwork	0.248
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2V8Y chain A
RMSD bond length	0.009
RMSD bond angle	1.245
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	123.670	48.029	2.840
High resolution limit [Å]	2.690	8.510	2.690
Rmerge		0.042	0.359
Rmeas	0.193
Rpim	0.106	0.029	0.235
Total number of observations	19790	739	2431
Number of reflections	6814
<I/σ(I)>	5.5	9.1	3
Completeness [%]	93.8	97.2	85.8
Redundancy	2.9	2.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	21-31% PEG 8000, 1???3% (NH4)2SO4, 100 mM HEPES, pH 7.5, 1 round of seeding. Crystals replaced in to above conditions without (NH4)2SO4 prior to freezing.