4YOD

Crystal structure of a thioredoxin-like protein (BACCAC_02376) from Bacteroides caccae ATCC 43185 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-01-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184,0.9796,0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	46.210, 45.420, 70.670
Unit cell angles	90.00, 97.42, 90.00

Refinement procedure

Resolution	28.343 - 1.900
R-factor	0.1789
Rwork	0.177
R-free	0.21440
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.940
Data scaling software	XSCALE (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.343		1.980
High resolution limit [Å]	1.900	4.100	1.910
Rmerge	0.040	0.023	0.505
Rmeas	0.056	0.032	0.702
Total number of observations	72712
Number of reflections	22102	4029	4056
<I/σ(I)>	10.6	24.8	2
Completeness [%]	91.7	88.5	89
Redundancy	1.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	30% polyethylene glycol 6000, 0.1M Bicine pH 9.0