7Z1U

Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97996
Spacegroup name	P 1 21 1
Unit cell lengths	36.850, 73.920, 62.830
Unit cell angles	90.00, 105.05, 90.00

Refinement procedure

Resolution	35.590 - 2.240
R-factor	0.264
Rwork	0.263
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zhw.pdb
RMSD bond length	0.003
RMSD bond angle	0.534
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.675	2.281
High resolution limit [Å]	2.242	2.242
Rmerge	0.072	0.874
Number of reflections	15684	779
<I/σ(I)>	12.7
Completeness [%]	99.9	100
Redundancy	7	7.1
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.1 M MIB (Sodium malonate dibasic monohydrate, Imidazole, Boric acid) pH 8.0, 25 % (w/v) PEG 1500.