5T8C

Crystal structure of lpg1496 under 300 MPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-29
Detector	ADSC QUANTUM 210
Wavelength(s)	0.6326
Spacegroup name	P 42 21 2
Unit cell lengths	75.016, 75.016, 99.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.548 - 1.481
R-factor	0.1601
Rwork	0.159
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t8b
RMSD bond length	0.006
RMSD bond angle	0.840
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	1.510
High resolution limit [Å]	1.480	1.480
Rmerge		0.770
Number of reflections	47739
<I/σ(I)>	48.7	4.3
Completeness [%]	99.9	100
Redundancy	13.7	12.9

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