6A0Q

The crystal structure of Lpg2622_E64 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	P 63 2 2
Unit cell lengths	179.938, 179.938, 113.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.20639
Rwork	0.205
R-free	0.24086
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.501
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	54772
<I/σ(I)>	27.2
Completeness [%]	100.0
Redundancy	21.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.4 M Sodium acetate trihydrate, pH 4.6