4TX1

The crystal structure of carbohydrate acetylesterase family member from Sinorhizobium meliloti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	126.238, 126.238, 191.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.610 - 1.750
R-factor	0.1564
Rwork	0.155
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q0q
RMSD bond length	0.023
RMSD bond angle	2.070
Data reduction software	HKL-2000
Data scaling software	HKL
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.059	0.034	0.468
Total number of observations	1076704
Number of reflections	77446
<I/σ(I)>	15.5
Completeness [%]	99.8	98.6	98.5
Redundancy	13.9	13.6	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		285	Crystal Screen I No. 44 0.2 M magnesium formate dehydrate