6FPF

Structure of the Ustilago maydis chorismate mutase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	82.768, 83.478, 186.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.200
R-factor	0.15775
Rwork	0.155
R-free	0.20290
Structure solution method	SAD
RMSD bond length	0.030
RMSD bond angle	2.419
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.963
High resolution limit [Å]	1.895	1.895
Rmerge	0.083	0.773
Number of reflections	63072	9715
<I/σ(I)>	11.1	1.8
Completeness [%]	99.5	90.8
Redundancy	6.7	6.3
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M MES pH 5.0, 20 % (v/v) PEG 6000