8IS8

CrtMLIKE with two GsPP molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	50.297, 64.793, 170.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.680 - 2.300
R-factor	0.1995
Rwork	0.195
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.090
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.107	0.283
Number of reflections	23872	1199
<I/σ(I)>	43.76
Completeness [%]	97.9
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris, 30% PEG 4000, 0.2M MgCl2, pH 8.5