8ISA

CrtMLIKE with one GsPP molecule

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	50.410, 59.940, 168.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.970 - 1.590
R-factor	0.1764
Rwork	0.175
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.986
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.970	1.856
High resolution limit [Å]	1.590	1.590
Rmerge	0.065	0.237
Number of reflections	34754	12766
<I/σ(I)>	25.49
Completeness [%]	99.1
Redundancy	12.7

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