7SWH

Crystal Structure of Putative cystathionine gamma-synthase from Burkholderia pseudomallei in Complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	68.730, 156.890, 81.710
Unit cell angles	90.00, 113.11, 90.00

Refinement procedure

Resolution	48.530 - 2.250
R-factor	0.1636
Rwork	0.162
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3v
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.530	48.530	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.092	0.029	0.605
Rmeas	0.108	0.035	0.703
Total number of observations	287664
Number of reflections	75200	852	5569
<I/σ(I)>	11.28	33.58	2.29
Completeness [%]	99.7	96.7	99.8
Redundancy	3.825	3.555	3.835
CC(1/2)	0.997	0.998	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	287	RityA.18390.a.B2 + SycoA.20508.e.PG1 [Barcode: 320527g9, PuckID: oce7-3, Cryo: 15% EG, Concentration: 9.9 mg/mL] (100mM Sodium acetate/Hydrochloric acid pH 4.6, 25% (w/v) PEG 4000, 200mM Ammonium sulfate) Cryo: 15 EG