4I1A

Crystal Structure of the Apo Form of RapI

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	2011-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 2
Unit cell lengths	132.897, 141.209, 50.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.268 - 2.443
R-factor	0.2236
Rwork	0.221
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.888
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.480
High resolution limit [Å]	2.440	6.620	2.440
Rmerge	0.051	0.024	0.640
Number of reflections	35843
<I/σ(I)>	17.9
Completeness [%]	99.1	85	100
Redundancy	7.2	6.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	150 mM KCl, 5 mM DTT, 5 mM MgCl2, 17% [w/v] PEG 3350, 200 mM lithium nitrate, and 120 mM Tris-HCl (pH 7.8), VAPOR DIFFUSION, HANGING DROP, temperature 293K