2I51

CRYSTAL STRUCTURE OF a pyridoxamine 5'-phosphate oxidase-related, FMN binding protein (NPUN_F5749) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.40 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Detector technology	CCD
Collection date	2006-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978489
Spacegroup name	P 21 21 21
Unit cell lengths	65.647, 65.928, 112.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.386 - 1.400
R-factor	0.166
Rwork	0.165
R-free	0.18800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.637
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.386	29.440	1.440
High resolution limit [Å]	1.397	6.260	1.400
Rmerge	0.113	0.010	0.010
Total number of observations		6520	31896
Number of reflections	96246
<I/σ(I)>	3.5	9.3	0.7
Completeness [%]	99.7	94.1	98
Redundancy	5.2	5.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			277	20.0% Glycerol, 24.0% PEG-1500, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1			277	20.0% Glycerol, 24.0% PEG-1500, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K