1S4M

Crystal structure of flavin binding to FAD synthetase from Thermotoga maritina

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-07
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	66.093, 82.163, 66.754
Unit cell angles	90.00, 116.57, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.223
Rwork	0.212
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.672
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	40525
<I/σ(I)>	17.8
Completeness [%]	94.0	82.7
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	sodium citrate, PEG 4000, glycerol, propanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K