1TK9
Crystal Structure of Phosphoheptose isomerase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.657, 123.289, 127.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.21100 |
| Structure solution method | SAD |
| Starting model (for MR) | Experimental electron density |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 93549 | |
| <I/σ(I)> | 13.3 | 2.06 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 3.07 | 2.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% peg mme 2k, 0.1M bis-tris, 0.1M na acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
