4LJZ

Crystal Structure Analysis of the E.coli holoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	186.366, 206.740, 309.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.884 - 3.587
R-factor	0.2478
Rwork	0.246
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.187
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.730
High resolution limit [Å]	3.587	7.720	3.587
Rmerge	0.127	0.042
Number of reflections	138966
<I/σ(I)>	6.3
Completeness [%]	100.0	100	100
Redundancy	10.2	10.2	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M MES, 0.1 M calcium acetate, 12-15% PEG 400, 5 mM dithiothreitol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K