9JFB

Crystal structure of L-threonine-O-3-phosphate decarboxylase CobC

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	2023-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	I 21 3
Unit cell lengths	159.418, 159.418, 159.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.850 - 2.200
R-factor	0.1559
Rwork	0.154
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.847
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	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.175	0.097	1.196
Rmeas	0.184	0.102	1.256
Rpim	0.056	0.032	0.381
Total number of observations	374964
Number of reflections	34268	3553	3409
<I/σ(I)>	5.3
Completeness [%]	100.0	99.9	100
Redundancy	10.9	10.1	10.7
CC(1/2)	0.988	0.993	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	289	0.1M Bis-Tris pH 7.2, 1.2 M Ammonium sulfate