7N2T

O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	97.207, 63.591, 66.918
Unit cell angles	90.00, 91.45, 90.00

Refinement procedure

Resolution	40.000 - 1.550
R-factor	0.178
Rwork	0.177
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	17ZY
RMSD bond length	0.003
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	439646	30554
<I/σ(I)>	15.11	1.49
Completeness [%]	99.6
Redundancy	3.8
CC(1/2)	0.999	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	293	29% PEG 300, 0.25 mM Citrate, 0.25 mM potassium phosphate pH 4.2