3TGN
Crystal Structure of the zinc-dependent MarR Family Transcriptional Regulator AdcR in the Zn(II)-bound State
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-23 |
Detector | NOIR-1 |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.848, 57.621, 85.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.773 - 2.000 |
R-factor | 0.1912 |
Rwork | 0.185 |
R-free | 0.24970 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.624 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (AutoSol) |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.046 | 0.287 | |
Number of reflections | 18718 | ||
Completeness [%] | 97.0 | 92.3 | 99.7 |
Redundancy | 5.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 18 % PEG 10000, 20 % glycerol, 0.1 M NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |