3PAC

Crystal structure of PduT a trimeric bacterial microcompartment protein with 4Fe-4S cluster binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.933
Spacegroup name	P 63
Unit cell lengths	67.680, 67.680, 62.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.710 - 1.860
R-factor	0.20394
Rwork	0.199
R-free	0.25150
Structure solution method	SAD
RMSD bond length	0.023
RMSD bond angle	2.068
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.840	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.035	0.220
Number of reflections	13647
<I/σ(I)>	18.5	3.7
Completeness [%]	100.0	98
Redundancy	8.2	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	0.1M NaCl, 0.1M Bicine, 25% PEG 550, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K
1	VAPOR DIFFUSION, HANGING DROP	8	292	0.1M NaCl, 0.1M Bicine, 25% PEG 550, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K