4ZH2

Crystal structure of Escherichia coli RNA polymerase in complex with CBR703

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	2013-05-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	185.792, 205.829, 307.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.755 - 4.204
R-factor	0.2664
Rwork	0.266
R-free	0.28850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lk1
RMSD bond length	0.004
RMSD bond angle	0.924
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.270
High resolution limit [Å]	4.200	11.360	4.200
Rmerge	0.126	0.042	0.980
Rmeas	0.128	0.045
Rpim	0.045	0.015	0.373
Total number of observations	750379
Number of reflections	86146
<I/σ(I)>	7.1
Completeness [%]	100.0	99.7	100
Redundancy	8.7	8.8	7.8
CC(1/2)		0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.1 M HEPES, 0.2 M calcium chloride, 18% PEG400