1NMP

Structural genomics, ybgI protein, unknown function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-02
Detector	MARRESEARCH
Wavelength(s)	0.9793
Spacegroup name	P 3
Unit cell lengths	156.730, 156.730, 57.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.200
R-factor	0.212
Rwork	0.212
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet structure
RMSD bond length	0.026
RMSD bond angle	24.200 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.200
Rmerge	0.096	0.237 *
Total number of observations	303926 *
Number of reflections	80094
<I/σ(I)>	14.1
Completeness [%]	99.8 *	99.6 *
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M cacodylate buffer pH 7.5, 0.1M magnesium acetate, 15% (w/v) polyethylene glycol 8000, 5% (v/v) polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	cacodylate	0.1 (M)	pH7.5
2	1	reservoir	magnesium acetate	0.1 (M)
3	1	reservoir	PEG8000	15 (%(w/v))
4	1	reservoir	PEG400	5 (%(v/v))
5	1	drop	protein	4.7 (mg/ml)