8Z38

FK506 binding protein 1B (including FK506)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-06
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	55.157, 59.382, 67.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.650 - 2.170
R-factor	0.2014
Rwork	0.198
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.650	2.248
High resolution limit [Å]	2.170	2.170
Rmerge	0.171	0.726
Rmeas	0.187	0.795
Rpim	0.071	0.312
Number of reflections	10844	1114
<I/σ(I)>	6.74	2.4
Completeness [%]	88.9
Redundancy	5.6
CC(1/2)	0.990	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M HEPES pH 7.5, 1.4 M tri-Sodium Citrate dihydrate or 2.1 M DL-Malic Acid pH 7.0.