4XOO

FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	137.135, 137.135, 101.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.500 - 2.100
R-factor	0.2334
Rwork	0.232
R-free	0.26902
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xom
RMSD bond length	0.015
RMSD bond angle	1.729
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	56408
<I/σ(I)>	25.8
Completeness [%]	99.4	98.7
Redundancy	29.8	30.3
CC(1/2)	1.000	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350. lithium sulfate