6A4W

AcrR from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	293
Detector technology	CCD
Collection date	2014-05-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9796
Spacegroup name	P 61
Unit cell lengths	118.154, 118.154, 90.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.536 - 2.587
R-factor	0.2021
Rwork	0.200
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a4l
RMSD bond length	0.006
RMSD bond angle	1.331
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.587	2.600
Rpim	0.053	0.282
Number of reflections	21205	1086
<I/σ(I)>	28.7
Completeness [%]	94.3
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1260 mM Ammonium sulfate 100 mM MES/ Sodium hydroxide pH 6.0