4TYZ

Crystal structure of the C-terminal domain of an unknown protein from Leishmania infantum

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	2014-06-13
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	58.860, 58.860, 135.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.752 - 1.600
R-factor	0.16
Rwork	0.159
R-free	0.18620
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.022
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1738))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.048	0.017	0.522
Rmeas	0.052	0.019	0.562
Total number of observations	265399
Number of reflections	36500	443	2669
<I/σ(I)>	30.88	83.99	3.73
Completeness [%]	99.4	88.4	100
Redundancy	7.3		7.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	290	Reagents JCSG+ sceen b3: 20% PEG 6000, 100mM Bicine pH 9.0; LeinA.18749.a.B1.PS02018 at 8.28mg/ml
2	VAPOR DIFFUSION, SITTING DROP	7.5	290	RigakuReagents JCSG+ sceen a9: 20% PEG 3350, 200mM Ammonium chloride; LeinA.18749.a.B1.PS02018 at 8.28mg/ml; the crystal was soaked for 10sec each in reservoir solution with 10% EG/500mM NaI, 20% EG/1000mM NaI, this sample was used for in-house phasing