3KD7
Designed TPR module (CTPR390) in complex with its peptide-ligand (Hsp90 peptide)
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 | 2004-04-20 |
Wavelength(s) | 1.1001 |
Spacegroup name | H 3 |
Unit cell lengths | 100.674, 100.674, 161.574 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.850 |
R-factor | 0.27114 |
Rwork | 0.271 |
R-free | 0.28255 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1na0 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.708 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.700 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.075 | 0.397 |
Number of reflections | 13180 | |
<I/σ(I)> | 21.18 | 1.16 |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 5.3 | 5.28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10 | 295 | 50 mM NaH2PO4, 20% (w/v) PEG 20000, 50 mM CAPS, pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |