9LE4

Crystal structure of the MIT-CD complex of STAMBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	193
Detector technology	PIXEL
Collection date	2024-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.349, 110.550, 270.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.430 - 2.600
R-factor	0.2185
Rwork	0.218
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.665
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.128	0.612
Rmeas	0.143
Rpim	0.063
Number of reflections	98798	6912
<I/σ(I)>	10.5	1.6
Completeness [%]	99.5	94
Redundancy	4.4	4.5
CC(1/2)	0.982	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M MES (pH 6.5) and 20 % (w/v) polyethylene glycol 3350