7S8W

Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine

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	2018-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	213.742, 213.742, 253.077
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.800 - 2.900
R-factor	0.172
Rwork	0.170
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sjb
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.930
Rmeas	0.185
Number of reflections	49028	4865
<I/σ(I)>	8.64
Completeness [%]	99.9
Redundancy	6.8	2.1
CC(1/2)		0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289.15	28% PEG 4000 0.1 M Tris (pH 8.0)