3POH

Crystal structure of an endo-beta-N-acetylglucosaminidase (BT_3987) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.55 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9795,0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	74.449, 74.449, 133.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.712 - 1.550
R-factor	0.1375
Rwork	0.136
R-free	0.16360
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.511
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]	29.712		1.610
High resolution limit [Å]	1.550	3.330	1.550
Rmerge	0.051	0.034	0.357
Number of reflections	62783	12157	12162
<I/σ(I)>	17.76	37	2.5
Completeness [%]	99.3	99.8	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	1.0M NaCitrate, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K