1NE8

YDCE protein from Bacillus subtilis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790, 0.97938, 0.97163
Spacegroup name	P 65 2 2
Unit cell lengths	56.630, 56.630, 138.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.860 - 2.100
R-factor	0.1619
Rwork	0.159
R-free	0.21000 *
Structure solution method	MAD
RMSD bond length	0.020 *
RMSD bond angle	1.640 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.054 *	0.198 *
Total number of observations	80833 *
Number of reflections	8244 *
<I/σ(I)>	19.6	8.86
Completeness [%]	99.5	98.5
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	22 *	12% PEG 4,000 0.1M Sodium Acetate pH 4.6, 0.2M Ammonium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.9 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop		150 (mM)
4	1	drop	dithiothreitol	5 (mM)
5	1	reservoir	PEG4000	12 (%)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.6
7	1	reservoir	ammonium acetate	0.2 (M)