5ZML

Stapled-peptides tailored against initiation of translation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	38.290, 91.610, 136.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.420 - 1.800
R-factor	0.18825
Rwork	0.185
R-free	0.22259
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bea
RMSD bond length	0.010
RMSD bond angle	1.423
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.420	1.850
High resolution limit [Å]	1.800	1.800
Number of reflections	22468	1588
<I/σ(I)>	13.05	3.17
Completeness [%]	98.3	95.7
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	40%(v/v) Ethylene glycol, 20 %(w/v) PEG 8000, 0.3M Sodium nitrate, 0.3M Ammonium sulfate, 100mM Sodium HEPES/MOPS pH 7.5