3ZOG

Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Collection date	2011-02-12
Spacegroup name	P 61 2 2
Unit cell lengths	46.060, 46.060, 268.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.770 - 1.750
R-factor	0.19629
Rwork	0.194
R-free	0.23149
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1usc
RMSD bond length	0.008
RMSD bond angle	1.287
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.060	0.640
Number of reflections	18259
<I/σ(I)>	26.2	3.5
Completeness [%]	100.0	100
Redundancy	15.3	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	VAPOR DIFFUSION AT 293K; CONDITIONS CONTAINING PEG 3350 OR 6000 (10-20% W/V) AS PRECIPITATION AGENT AND DIFFERENT SALTS (50-200 MM MAGNESIUM CLORIDE, POTASSIUM FORMATE, NATRIUM FORMATE, AMMONIUM FORMATE, MAGNESIUM FORMATE)