2B1B
5'-D(*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3' Zif268 binding site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 38.258, 38.258, 78.167 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.100 - 1.900 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 401d |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.790 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.155 |
| Number of reflections | 2907 | |
| <I/σ(I)> | 42.4 | 7.9 |
| Completeness [%] | 96.1 | 80.5 |
| Redundancy | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 295 | MPD, sodium cacodylate, cobalt hexamine, sodium chloride, potassium chloride, vapor diffusion, hanging drop, temperature 295K, pH 5.50 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | sodium chloride | ||
| 11 | 1 | 2 | potassium chloride | ||
| 12 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | cobalt hexamine | ||
| 4 | 1 | 1 | sodium chloride | ||
| 5 | 1 | 1 | potassium chloride | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | sodium cacodylate | ||
| 9 | 1 | 2 | cobalt hexamine |
