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 |