8RPO

BFL1 in complex with a reversible covalent ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95374
Spacegroup name	P 31 2 1
Unit cell lengths	69.748, 69.748, 72.827
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.400 - 1.791
R-factor	0.2225
Rwork	0.220
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.404	2.003
High resolution limit [Å]	1.791	1.791
Number of reflections	12352	620
<I/σ(I)>	12.8
Completeness [%]	83.1
Redundancy	13
CC(1/2)	0.998	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	sodium citrate 0.3M, PCTP pH 6