2PEB

Crystal structure of a putative dioxygenase (npun_f1925) from nostoc punctiforme pcc 73102 at 1.46 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	2007-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97944, 0.97913
Spacegroup name	P 1 21 1
Unit cell lengths	44.562, 57.042, 46.676
Unit cell angles	90.00, 104.81, 90.00

Refinement procedure

Resolution	35.400 - 1.460
R-factor	0.186
Rwork	0.185
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.493
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.400		1.510
High resolution limit [Å]	1.460	2.500	1.460
Rmerge	0.061	0.051	0.479
Number of reflections	37036
<I/σ(I)>	8.08	15.7	1.61
Completeness [%]	93.9	95.4	81.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 0.2M Ammonium citrate (dibasic), 20.0% PEG 3350, No Buffer pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K