4Q29

Ensemble Refinement of plu4264 protein from Photorhabdus luminescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	55.738, 147.687, 83.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.898 - 1.349
R-factor	0.1268
Rwork	0.126
R-free	0.15530
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	2.097
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.370
High resolution limit [Å]	1.349	1.350
Number of reflections	76134
Completeness [%]	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M Li2SO4, 0.1 M Tris/HCl 8.5, 25% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 289K