7RJ1

Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	61.751, 93.154, 99.709
Unit cell angles	90.00, 106.96, 90.00

Refinement procedure

Resolution	41.850 - 2.160
R-factor	0.1858
Rwork	0.184
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5csm
RMSD bond length	0.003
RMSD bond angle	0.678
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.083	0.701
Rpim	0.053	0.451
Number of reflections	56277	2850
<I/σ(I)>	18.1	1.37
Completeness [%]	98.0	98.8
Redundancy	3.3
CC(1/2)	1.000	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M magnesium chloride, 25% (w/v) PEG3350, 0.1 M Tris pH 8.5