4XSY

Crystal structure of CBR 9379 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	185.394, 206.773, 310.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.363 - 4.007
R-factor	0.2372
Rwork	0.235
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ljz
RMSD bond length	0.005
RMSD bond angle	0.943
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]	40.370	40.000	4.140
High resolution limit [Å]	4.000	8.590	4.000
Rmerge	0.134	0.058
Total number of observations	1579649
Number of reflections	97422
<I/σ(I)>	5.8
Completeness [%]	98.5	99.9	96.7
Redundancy	16.2	15.1	14

Crystallization Conditions

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