4IYJ

Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 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	2012-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979415
Spacegroup name	P 21 21 21
Unit cell lengths	57.899, 61.282, 124.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.552 - 1.370
R-factor	0.1356
Rwork	0.134
R-free	0.17320
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.439
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.552	29.552	1.410
High resolution limit [Å]	1.370	6.130	1.370
Rmerge		0.042	0.880
Total number of observations		3865	23690
Number of reflections	93097
<I/σ(I)>	7.2	15	0.8
Completeness [%]	99.4	95.8	99.5
Redundancy	3.5	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	10.00% 2-propanol, 20.00% polyethylene glycol 4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K