4XSZ

Crystal structure of CBR 9393 bound to Escherichia coli RNA polymerase holoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	184.444, 206.331, 309.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.934 - 3.683
R-factor	0.2424
Rwork	0.240
R-free	0.28610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ljz
RMSD bond length	0.004
RMSD bond angle	1.013
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.830
High resolution limit [Å]	3.680	7.950	3.680
Rmerge	0.148	0.052
Total number of observations	2086355
Number of reflections	113807
<I/σ(I)>	5.5
Completeness [%]	89.4	92.7	86.4
Redundancy	18.3	16.3	16.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	MES, calcium acetate, PEG 400