3EMR

Crystal Structure Analysis of the ectoine hydroxylase ECTD from Salibacillus salexigens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.90810
Spacegroup name	P 65 2 2
Unit cell lengths	102.790, 102.790, 159.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.850
Rwork	0.192
R-free	0.22830
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	43040
<I/σ(I)>	34.1	5.9
Completeness [%]	99.9	100
Redundancy	14.6	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	1.0M ammonium sulfate, 0.1M sodium fluoride, 2mM TCEP, 0.1M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5	291	1.0M ammonium sulfate, 0.1M sodium fluoride, 2mM TCEP, 0.1M sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K