1R9G

Three-dimensional Structure of YaaE from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-13
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	45.500, 80.870, 115.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.244
Rwork	0.240
R-free	0.27940
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.050 *	0.285 *
Total number of observations	118186 *
Number of reflections	15377
<I/σ(I)>	9.4	2.6
Completeness [%]	99.8	99
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	18 *	PEG 8000, HEPES, ethylene glycol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.2	18 *	PEG 8000, HEPES, ethylene glycol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG8000	10-12 (%(w/v))
2	1	drop	MOPS	100 (mM)	pH7.0-7.2
3	1	drop	ethylene glycol	6 (%(v/v))
4	1	drop	protein	2.5 (mg/ml)
5	1	reservoir	dithiothreitol	2 (mM)