3ZOC

Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-30
Detector	MARRESEARCH SX-165
Spacegroup name	P 61 2 2
Unit cell lengths	46.321, 46.321, 268.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.570 - 2.100
R-factor	0.24341
Rwork	0.242
R-free	0.26885
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r6v
RMSD bond length	0.011
RMSD bond angle	1.719
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.250
Number of reflections	9300
<I/σ(I)>	21.4	4.3
Completeness [%]	85.1	90
Redundancy	7.8	3.8

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)