8WB2

Heme-bound Arabidopsis thaliana temperature-induced lipocalin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	75.685, 75.685, 208.238
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.090 - 1.900
R-factor	0.1749
Rwork	0.174
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.860
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.069
Rmeas	0.071
Rpim		0.374
Number of reflections	18556	1811
<I/σ(I)>	42.4	2.25
Completeness [%]	99.9	100
Redundancy	18.9
CC(1/2)	0.993	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	Tris-HCl, PEG4000, lithium acetate