6VLX

Crystal structure of FabI from Alistipes finegoldii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9790
Spacegroup name	P 21 2 21
Unit cell lengths	60.557, 77.772, 127.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 1.720
R-factor	0.2082
Rwork	0.206
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p91
RMSD bond length	0.006
RMSD bond angle	1.380
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.760
High resolution limit [Å]	1.720	1.720
Number of reflections	62918	2748
<I/σ(I)>	13.4	1.8
Completeness [%]	98.3
Redundancy	6.4	5.4
CC(1/2)	0.997	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Crystallization: 1.2 M Na K Tartrate, 100 mM Tris pH 8.0, Cryo: 1.3M Na K Tartrate, 100 mM Tris pH 8.0, 20% glycerol