9W0A

Wild-type P450 enzyme-TtpB1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	89.860, 89.860, 269.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.400 - 2.480
R-factor	0.2189
Rwork	0.215
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.749
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.910	2.580
High resolution limit [Å]	2.480	2.480
Rmerge	0.100	1.811
Number of reflections	43178	2610
<I/σ(I)>	29.8	3
Completeness [%]	100.0	100
Redundancy	38.2	39.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.1M Sodium cacodylate trihydrate, 1M Sodium citrate tribasic dihydrate