9JFF

Crystal structure of L-threonine-O-3-phosphate decarboxylase CobC in complex with reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	I 21 3
Unit cell lengths	160.074, 160.074, 160.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.310 - 2.150
R-factor	0.1581
Rwork	0.156
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.664
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.165	0.079	1.184
Rmeas	0.174	0.083	1.247
Rpim	0.055	0.027	0.391
Total number of observations	374317
Number of reflections	37227	3847	3714
<I/σ(I)>	3.7
Completeness [%]	100.0	99.7	100
Redundancy	10.1	9.4	10.2
CC(1/2)	0.992	0.996	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	289	0.1 M Bis-Tris pH 6.1 1.4 M Ammonium sulfate