4J27

Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in a novel crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-21
Detector	MAR CCD 165 mm
Wavelength(s)	0.8726
Spacegroup name	P 1 21 1
Unit cell lengths	68.150, 96.550, 97.270
Unit cell angles	90.00, 91.30, 90.00

Refinement procedure

Resolution	30.666 - 1.590
R-factor	0.1587
Rwork	0.158
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wvv
RMSD bond length	0.014
RMSD bond angle	1.477
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.666	30.666	1.680
High resolution limit [Å]	1.590	5.030	1.590
Rmerge		0.034	0.878
Total number of observations		20038	88387
Number of reflections	164706
<I/σ(I)>	8.2	17.4	0.9
Completeness [%]	100.0	99.6	99.9
Redundancy	3.8	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291.15	17% PEG 6K, 0.124M ammonium sulfate, 0.1M imidazole 2 parts protein: 3 mother liquor, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K