3GP4
Crystal structure of putative MerR family transcriptional regulator from listeria monocytogenes
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 63 |
Unit cell lengths | 80.647, 80.647, 127.126 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21600 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.579 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
Rmerge | 0.084 | 0.060 | 0.773 |
Number of reflections | 39943 | ||
<I/σ(I)> | 39.409 | ||
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 18.8 | 18.4 | 17.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Tris-HCl pH 7.0, 20% PEG 1000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |