3H1M
Crystal structure of mannose 6-phosphate isomerase (holo; zinc bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.030, 92.460, 111.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.990 - 2.500 |
R-factor | 0.18999 |
Rwork | 0.188 |
R-free | 0.23213 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.423 |
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 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.130 | 0.433 |
Number of reflections | 12581 | |
<I/σ(I)> | 7.6 | 2.6 |
Completeness [%] | 93.6 | 90 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Micro-bactch under oil | 6.5 | 293 | 0.1 M magnesium acetate, 0.2M sodium cacodylate pH 6.5, 20% PEG 8000, 5% dioxane, Micro-bactch under oil, temperature 293K |