1TMJ
Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-05 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.132, 46.570, 43.365 |
| Unit cell angles | 90.00, 110.36, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.450 |
| R-factor | 0.131 |
| Rwork | 0.131 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1HKA |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.060 | 0.630 |
| Number of reflections | 23408 | |
| <I/σ(I)> | 19.3682 | 1.864 |
| Completeness [%] | 97.7 | 95.8 |
| Redundancy | 4.163 | 3.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 292 | PEG4000, MAGNESIUM CHLORIDE, ACETATE, TRIS-HCL, IMIDAZOLE, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
