8PNH

Chorismate mutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	41.511, 74.282, 129.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.318 - 1.900
Rwork	0.213
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.388
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.510	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	31515	1955
<I/σ(I)>	10.6	0.8
Completeness [%]	97.8	95.8
Redundancy	3.1	2.5
CC(1/2)	0.996	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	3.5 mg/mL protein in 20 mM TRIS-HCl, pH 8 storage buffer and crystallization solution containing 0.07 M NPS (0.023 M solidum nitrate, 0.023 M disodium hydrogen phosphate and 0.023 M ammonium sulfate) 9% v/w PEG20K 19% v/w 500MME 0.01 M Imidazole 0.008 M phenylpyruvate