3H1Y
Crystal structure of mannose 6-phosphate isomerase from Salmonella typhimurium bound to substrate (f6p)and metal atom (zn)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-03-13 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.890, 92.250, 111.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.940 - 2.040 |
| R-factor | 0.19419 |
| Rwork | 0.192 |
| R-free | 0.23314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pmi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.127 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.340 |
| Number of reflections | 24243 | |
| <I/σ(I)> | 14.9 | 4.7 |
| Completeness [%] | 98.0 | 87.3 |
| Redundancy | 6.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Micro-bactch under oil | 6.5 | 293 | 0.1M magnesium acetate, 0.2M sodium cacodylate pH 6.5, 20% PEG 8000, 10mM zinc F6P soaking., Micro-bactch under oil, temperature 293K |
