9HD4

LecB in complex with photoswitchable compound GTB

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	64.210, 83.720, 158.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.440 - 1.491
Rwork	0.148
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.721
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.440	1.516
High resolution limit [Å]	1.491	1.491
Number of reflections	69682	3457
<I/σ(I)>	8
Completeness [%]	99.4
Redundancy	12.4
CC(1/2)	0.994	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	293	20% PEG 8K, 0.25M LiCl, 0.1M Sodium acetate pH 4.3