4GHN

Crystal structure of a putative protease (BACUNI_00178) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-17
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 31 2 1
Unit cell lengths	102.077, 102.077, 97.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.932 - 1.500
R-factor	0.1359
Rwork	0.134
R-free	0.17070
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.470
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]	17.932	17.932	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge		0.081	0.529
Total number of observations		4380	22594
Number of reflections	91727
<I/σ(I)>	6.2	8	1.4
Completeness [%]	97.9	94.8	98.9
Redundancy	3.6	4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	30.00% Glycerol, 5.60% polyethylene glycol 4000, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K