1EJD

Crystal structure of unliganded mura (type1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-12-06
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	87.177, 156.297, 84.036
Unit cell angles	90.00, 91.63, 90.00

Refinement procedure

Resolution	17.000 - 1.550
Rwork	0.185
R-free	0.20700
Starting model (for MR)	1NAW without solvent molecules
RMSD bond length	0.010
RMSD bond angle	24.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.570
High resolution limit [Å]	1.550	1.550
Rmerge	0.046	0.246
Total number of observations	738470 *
Number of reflections	155426
<I/σ(I)>	24.2
Completeness [%]	96.0	87.1
Redundancy	4.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4 *	292	1 M sodium/potassium phosphate including 30 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium/potassium phosphate	0.8 (M)
2	1	drop	cyclohexylammmonium	40 (mM)
3	1	reservoir	sodium/potassium phosphate	0.8 (M)