1EKR

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	1998-03-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 63 2 2
Unit cell lengths	91.117, 91.117, 62.722
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.219
R-free	0.25200 *
RMSD bond length	0.007
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.020
High resolution limit [Å]	2.000 *	1.950
Rmerge	0.063	0.365 *
Number of reflections	11190
<I/σ(I)>	29.1
Completeness [%]	95.7	97.9 *
Redundancy	5.2 *	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	295	PEG 400, CALCIUM CHLORIDE, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 22K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG400	28 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	HEPES	0.1 (M)