8IS9

CrtMLIKE with one FsPP 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	50.590, 65.130, 170.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.190 - 1.590
R-factor	0.2017
Rwork	0.201
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.079
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.190	1.946
High resolution limit [Å]	1.590	1.590
Rmerge	0.122	1.542
Number of reflections	38424	17258
<I/σ(I)>	12.2
Completeness [%]	99.3
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