2I02

CRYSTAL STRUCTURE OF a pyridoxamine 5'-phosphate oxidase-like family protein (NPUN_R6570) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.80 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979197,0.918370
Spacegroup name	P 63 2 2
Unit cell lengths	103.646, 103.646, 109.695
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.921 - 1.800
Rwork	0.177
R-free	0.20400
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.496
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]	29.921	29.920	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.117	0.045	0.946
Total number of observations		3829	25296
Number of reflections	32823
<I/σ(I)>	4.8	12.3	0.8
Completeness [%]	100.0	98.2	100
Redundancy	10.3	8.5	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5	277	0.2M NaCl, 40.0% PEG-300, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K