6TI2

Structure of the Ustilago maydis chorismate mutase 1 in complex with KWL1-b from Zea mays

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.07252
Spacegroup name	P 1 21 1
Unit cell lengths	57.740, 124.580, 98.210
Unit cell angles	90.00, 96.22, 90.00

Refinement procedure

Resolution	47.990 - 2.750
R-factor	0.2256
Rwork	0.224
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fpg
RMSD bond length	0.006
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.087	0.705
Number of reflections	35373	3546
<I/σ(I)>	8.31	1.36
Completeness [%]	98.4
Redundancy	3
CC(1/2)	0.992	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M HEPES pH 7.0, 8 % (w/v) PEG 8000