4WID

Crystal structure of the immediate-early 1 protein (IE1) at 2.31 angstrom (tetragonal form after crystal dehydration)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 43
Unit cell lengths	56.489, 56.489, 276.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.180 - 2.310
R-factor	0.2002
Rwork	0.197
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Chain A of PDB 4W1C
RMSD bond length	0.008
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.389
High resolution limit [Å]	2.310	2.306
Rmerge	0.059	0.590
Number of reflections	37710
<I/σ(I)>	16.52	1.56
Completeness [%]	99.3	93.66
Redundancy	5.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir 700 microL: 15 % (w/v) PEG 3350, 400 mM magnesium formate, Drop ratio: 1 to 2 microL protein solution (20 mg/mL) plus 1 microL of reservoir solution supplemented with crystal microseeds