9DBI

Structure of Hailong HalB D21A/D23A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-12-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	71.807, 122.287, 141.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.510 - 1.990
R-factor	0.186
Rwork	0.185
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.791
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.810	2.020
High resolution limit [Å]	1.990	1.990
Rpim	0.053	0.856
Number of reflections	85256	4180
<I/σ(I)>	9.4
Completeness [%]	99.3
Redundancy	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES pH 7.0, 5% PEG-4000