4YGW

RNase S in complex with stabilized S peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	28.562, 87.108, 45.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.274 - 2.180
R-factor	0.2023
Rwork	0.201
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oqy
RMSD bond length	0.004
RMSD bond angle	0.649
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.115	0.372
Number of reflections	5835
<I/σ(I)>	12.6	1.8
Completeness [%]	91.2	58.2
Redundancy	4.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M sodium citrate, pH 5.5, 27.5% PEG4000, 0.06 M ammonium sulfate