9UYW

Crystal structure of apo-form artificial metalloprotein incorporating a TP ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2025-03-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	51.678, 72.428, 63.509
Unit cell angles	90.00, 113.84, 90.00

Refinement procedure

Resolution	29.040 - 2.480
R-factor	0.222
Rwork	0.220
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.040	2.570
High resolution limit [Å]	2.480	2.480
Number of reflections	15252	1487
<I/σ(I)>	15.8
Completeness [%]	97.2
Redundancy	6.5
CC(1/2)	0.998	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	295	1M NaH2PO4/K2HPO4