5WEU

Crystal Structure of H2-Dd with disulfide-linked 10mer peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	277
Detector technology	PIXEL
Collection date	2015-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	50.840, 90.841, 109.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.261 - 1.584
R-factor	0.1872
Rwork	0.186
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ecb
RMSD bond length	0.004
RMSD bond angle	0.782
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.061	1.080
Rpim	0.026	0.503
Number of reflections	69110	6254
<I/σ(I)>	16.2	1.4
Completeness [%]	99.0	90.8
Redundancy	6.4	5.4
CC(1/2)	0.999	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	10% PEG 10K, 0.1M Cacodylate