4YFK

Escherichia coli RNA polymerase in complex with squaramide compound 8.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9179
Spacegroup name	P 21 21 21
Unit cell lengths	186.105, 206.438, 307.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.965 - 3.571
R-factor	0.2173
Rwork	0.217
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4IGC
RMSD bond length	0.018
RMSD bond angle	1.810
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	3.500
Number of reflections	133199
<I/σ(I)>	12.8
Completeness [%]	96.8
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.1M HEPES-HCL, 0.2M CaACETATE, 15% PEG400