3NUZ

Crystal structure of a putative acetyl xylan esterase (BF1801) from Bacteroides fragilis NCTC 9343 at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97920
Spacegroup name	P 32
Unit cell lengths	125.612, 125.612, 162.639
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.665 - 2.300
R-factor	0.153
Rwork	0.152
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.440
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.665	29.665	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.090	0.022	0.495
Number of reflections	126358	22946	18492
<I/σ(I)>	8	21.7	1.4
Completeness [%]	81.6	88.5	74.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	40.0000% MPD, 0.1M Citrate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K