1SHK
THE THREE-DIMENSIONAL STRUCTURE OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 108.500, 108.500, 92.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.174 |
| Rwork | 0.176 |
| R-free | 0.22200 |
| Structure solution method | MIRAS |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX-90 |
| Refinement software | SHELX-90 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.940 |
| Number of reflections | 44761 | |
| <I/σ(I)> | 10 | 1.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 6.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.6 * | 2.16M NACL, 100MM HEPES BUFFER PH 6.9, 5MM ADP, 5MM SHIKIMATE, 10MM MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | |
| 2 | 1 | drop | ADP | 5 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | enzyme | 16 (mg/ml) | |
| 5 | 1 | reservoir | 2.16 (M) | ||
| 6 | 1 | reservoir | HEPES | 100 (mM) |
