1IKI
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
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 | 2000-08-26 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.859, 66.799, 100.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.250 |
| R-factor | 0.1094 |
| Rwork | 0.111 |
| R-free | 0.15500 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pte |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 2.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.069 * | 0.178 * |
| Total number of observations | 973583 * | |
| Number of reflections | 95204 * | |
| <I/σ(I)> | 17.2 | 2 |
| Completeness [%] | 97.0 * | 78 * |
| Redundancy | 5.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | PEG 8000, SODIUM PHOSPHATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 20K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium phosphate | 50 (mM) | pH6.8 |
| 2 | 1 | reservoir | PEG8000 | 30 (%(w/v)) | |
| 3 | 1 | reservoir | glycerol | 5 (%(v/v)) |
