5T8B

Crystal structure of lpg1496 under 350 MPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 42 21 2
Unit cell lengths	75.618, 75.618, 99.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.704 - 1.500
R-factor	0.1713
Rwork	0.170
R-free	0.19620
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.829
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge		0.966
Number of reflections	47082
<I/σ(I)>	40.6	2
Completeness [%]	99.8	97.7
Redundancy	24	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	293	12% PEG6000, 0.2M MgCl2, 0.1M Tris-HCl, pH8.4