6K3B

Crystal structure of Lpg2147-Lpg2149 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	52.872, 83.781, 124.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.111 - 1.974
R-factor	0.1726
Rwork	0.171
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tsc 5dpo
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15_3459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.974	1.974
Rmerge	0.108	0.363
Number of reflections	39377	3744
<I/σ(I)>	26.7
Completeness [%]	99.6
Redundancy	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG3350, ammonium nitrate