6VJS

Escherichia coli RNA polymerase and ureidothiophene-2-carboxylic acid complex

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	2013-12-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9179
Spacegroup name	P 21 21 21
Unit cell lengths	187.077, 205.501, 309.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.090 - 4.020
R-factor	0.2305
Rwork	0.230
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lk1
RMSD bond length	0.003
RMSD bond angle	0.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.090	4.070
High resolution limit [Å]	4.000	4.000
Rmerge	0.106	0.870
Rmeas	0.998	0.964
Number of reflections	99417	9506
<I/σ(I)>	11.02	1.95
Completeness [%]	99.4	96.49
Redundancy	5.6	5.2
CC(1/2)	0.998	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	0.1M Hepes-NaOH (pH 8), 0.2M CaAcetate, 15% PEG400