8S9I

Crystal structure of the gp32 C-terminal peptide/Dda/dT8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-11
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	121.789, 121.789, 88.501
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.348 - 3.530
R-factor	0.2562
Rwork	0.253
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.620
Data reduction software	KYLIN
Data scaling software	KYLIN ((1.11.1_2575: ???))
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.350	3.590
High resolution limit [Å]	3.530	3.530
Number of reflections	9276	490
<I/σ(I)>	4.59	2.62
Completeness [%]	96.2	98.99
Redundancy	4.84	3.62
CC(1/2)	0.920	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	20% (w/v) PEG3350, 0.2 M tri-lithium citrate.