9Q02

NowGFP mutant with non-canonical amino acid 4-(7-nitro-2,1,3-benzoselenadiazolyl)-alanine (NBDSe) in the chromophore site

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731825
Spacegroup name	P 21 21 21
Unit cell lengths	50.762, 50.829, 192.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 1.870
R-factor	0.1671
Rwork	0.165
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5058)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	1.910
High resolution limit [Å]	1.870	1.870
Number of reflections	79704	2666
<I/σ(I)>	12.2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.998	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.5	35% PEG 3350, 0.2M Amm SO4, 0.1 M Na Acetate (pH 4.6)