6CNY

2.3 Angstrom Structure of Phosphodiesterase treated Vivid (complex with FMN)

Replaces:  2PDT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	64.120, 80.570, 64.110
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	45.340 - 2.100
R-factor	0.164
Rwork	0.163
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g28
RMSD bond length	0.012
RMSD bond angle	1.578
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.090	2.090
Rmerge	0.073	0.542
Number of reflections	38172	2529
<I/σ(I)>	25.4	2.87
Completeness [%]	98.6	89.1
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	An equal volume (2 uL) of protein dissolved in a buffer containing 50 mM HEPES pH 8.0, 150 mM NaCl and 13% glycerol was mixed with the reservoir solution containing 100 mM trisodium citrate pH 5.6, 100 mM ammonium acetate and 30% PEG 5K MME