4MQ9

Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077

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	2010-11-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.91800
Spacegroup name	P 65
Unit cell lengths	236.569, 236.569, 252.311
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.971 - 3.350
R-factor	0.2143
Rwork	0.214
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dxj
RMSD bond length	0.004
RMSD bond angle	0.846
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.760	3.530
High resolution limit [Å]	3.350	3.350
Rmerge	0.112	1.000
Number of reflections	113506
<I/σ(I)>	8.5428	0.76
Completeness [%]	99.1	97.2
Redundancy	5.81	5.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	295	A stock crystallization solution was prepared by adding T. thermophilus RNAP holoenzyme (10 mg/ml) in 20 mm TRIS-HCl, ph 7.7, 100 mm NaCl, and 1% glycerol to an equal volume of 33 mm magnesium formate containing 40 m ZnCl2. This solution was equilibrated against 35 mm magnesium formate and 30 mm sodium citrate, ph 5.4, vapor diffusion, hanging drop, temperature 295K, VAPOR DIFFUSION, HANGING DROP