8HID

HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9780
Spacegroup name	P 21 21 21
Unit cell lengths	83.466, 140.871, 233.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.570 - 2.200
R-factor	0.2269
Rwork	0.225
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dgh
RMSD bond length	0.003
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.570	2.220
High resolution limit [Å]	2.200	2.200
Number of reflections	139142	4286
<I/σ(I)>	15.8
Completeness [%]	98.6
Redundancy	6.4
CC(1/2)	0.997	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M MES pH6.8, 7% PEG20000