5HOE

Crystal structrue of Est24, a carbohydrate acetylesterase from Sinorhizobium meliloti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	129.089, 88.626, 86.148
Unit cell angles	90.00, 114.30, 90.00

Refinement procedure

Resolution	35.860 - 1.450
R-factor	0.174
Rwork	0.172
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q0q
RMSD bond length	0.011
RMSD bond angle	1.347
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.864	1.503
High resolution limit [Å]	1.450	1.451
Rmerge	0.094
Number of reflections	145939
<I/σ(I)>	20.3
Completeness [%]	93.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	295	0.2 M ammonium phosphate, (pH 4.6) 20% polyethylene glycol (PEG) 3350