11MQ

Crystal Structure of Fluorophore-binding Protein NovoTag657-holo

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-02-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97905
Spacegroup name	P 21 21 21
Unit cell lengths	32.294, 56.626, 67.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.380 - 2.380
R-factor	0.2384
Rwork	0.233
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.565
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.490	2.460
High resolution limit [Å]	2.370	2.370
Rmerge	0.588	1.361
Rpim	0.187	0.440
Number of reflections	5424	561
<I/σ(I)>	6	1.9
Completeness [%]	100.0	100
Redundancy	11.9	11.2
CC(1/2)	0.962	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2M Lithium sulfate, 0.5M Zinc acetate dihydrate, 0.1M BisTris pH 7.5, 22.5% (v/v) PEG Smear Broad. PEG Smear Broad contains: PEG1000, PEG10000, PEG2000, PEG3350, PEG400, PEG4000, PEG600, PEG6000, PEG8000, PEG methyl ether 500, PEG methyl ether 5000.