3QOQ

Crystal Structure of the Transcription Factor AmrZ in Complex with the 18 Base Pair amrZ1 Binding Site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	I 4 2 2
Unit cell lengths	129.465, 129.465, 152.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.250 - 3.100
R-factor	0.2631
Rwork	0.261
R-free	0.29540
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (refmac_5.5.0063)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.150
High resolution limit [Å]	3.100	8.390	3.100
Rmerge	0.069	0.028	0.543
Number of reflections	11900
<I/σ(I)>	12.8
Completeness [%]	99.7	96.2	100
Redundancy	5.7	5.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	3% PEG8K, 0.1M MES, 0.15M NaCl, 2mM TCEP, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K