2BDX

X-ray Crystal Structure of dihydromicrocystin-LA bound to Protein Phosphatase-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	99.978, 99.978, 62.949
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 2.300
R-factor	0.214
Rwork	0.212
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1JK7
RMSD bond length	0.013
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.267
Number of reflections	14724
<I/σ(I)>	8.5	2.5
Completeness [%]	99.9	100
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	273	2.3 M lithium sulfate, Tris-HCl (100 mM, pH 8.0), polyethylene glycol 400 (2%) and beta-mercaptoethanol (10 mM), VAPOR DIFFUSION, HANGING DROP, temperature 273K