1UN2

Crystal structure of circularly permuted CPDSBA_Q100T99: Preserved Global Fold and Local Structural Adjustments

Replaces:  1DYV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Collection date	1999-04-08
Spacegroup name	P 1 21 1
Unit cell lengths	37.760, 52.590, 53.730
Unit cell angles	90.00, 103.23, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.211
Rwork	0.206
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a2j
RMSD bond length	0.009
RMSD bond angle	1.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.056	0.099
Total number of observations	37723 *
Number of reflections	7952
<I/σ(I)>	17.4	6.4
Completeness [%]	99.0	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	291 *	25% PEG 8000, 7-10% DMSO, 0.1M NA CACODYLATE PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG8000	25 (%)
3	1	reservoir	DMSO	7-10 (%)
4	1	reservoir	cacodylate	0.1 (M)	pH6.5