4PEQ

Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	I 2 2 2
Unit cell lengths	117.792, 123.550, 179.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.224 - 2.211
R-factor	0.1773
Rwork	0.176
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.192
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.250
High resolution limit [Å]	2.210	6.000	2.210
Rmerge	0.084	0.050	0.747
Total number of observations	470079
Number of reflections	65409
<I/σ(I)>	10.7
Completeness [%]	100.0	99.9	99.4
Redundancy	7.2	7.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	1:1 protein solution (20 mM HEPES-NaOH, 10 mM DTT, 2% w/v glycerol, pH 7.5) to well solution (100 mM malic acid/MES/Tris, pH 4.0, 25% PEG1500), cryoprotectant: 100 mM malic acid/MES/Tris, pH 4.0, 25% PEG1500, 15% ethylene glycol