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 |