1EKS

ASP128ALA VARIANT OF MOAC PROTEIN FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	95
Detector technology	CCD
Collection date	1998-07-23
Detector	ADSC QUANTUM 4
Spacegroup name	P 63 2 2
Unit cell lengths	92.128, 92.128, 63.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.217
R-free	0.27600 *
RMSD bond length	0.008
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.480	2.480
Rmerge	0.071	0.516
Number of reflections	5826
<I/σ(I)>	13
Completeness [%]	1.0	98.6
Redundancy	3.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.6	295	Ammonium Phosphate, Sodium-Potassium Tartrate, Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.7-2.1 (M)
2	1	reservoir	K,Na tartrate	0.05-0.1 (M)
3	1	reservoir	citrate	0.1 (M)