4EUY

Crystal structure of thioredoxin-like protein BCE_0499 from Bacillus cereus ATCC 10987

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97929
Spacegroup name	P 43 21 2
Unit cell lengths	73.458, 73.458, 64.561
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.2227
Rwork	0.220
R-free	0.29620
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.830
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.950
High resolution limit [Å]	2.900	7.830	2.900
Rmerge	0.072	0.069	0.814
Number of reflections	4245
<I/σ(I)>	41		3.1
Completeness [%]	99.8	97.7	100
Redundancy	13.6	11.3	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein: 0.3M NaCl, 10mM Hepes pH 7.5, 0.5 mM TCEP, Precipitant: 20% PEG3350, 0.2M tri-Li Citrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K