3SN2

Crystal structure analysis of iron regulatory protein 1 in complex with transferrin receptor IRE B RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-06
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	101.675, 101.675, 281.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.643 - 2.990
R-factor	0.2303
Rwork	0.227
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2IPY
RMSD bond length	0.005
RMSD bond angle	0.801
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.700	32.700	3.097
High resolution limit [Å]	2.990	6.442	2.990
Rmerge	0.088	0.039	0.551
Number of reflections	30703
<I/σ(I)>	11.4	30.853	0.753
Completeness [%]	99.4	97.2	99.4
Redundancy	2.1	2.02	2.19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.7 M sodium citrate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K