3H1W
Crystal structure of mannose 6-phosphate isomerase bound with zinc and yttrium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.980, 92.360, 111.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.950 - 1.940 |
R-factor | 0.18439 |
Rwork | 0.182 |
R-free | 0.23649 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pmi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.202 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.061 | 0.290 |
Number of reflections | 27871 | |
<I/σ(I)> | 18.9 | 4.2 |
Completeness [%] | 96.5 | 83.3 |
Redundancy | 4.5 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Micro-bactch under oil | 6.5 | 293 | 0.1 M magnesium acetate, 0.2 M sodium cacodylate pH 6.5, 20% PEG 8000, 5% dioxane, 10mM zinc chloride, 10mM yttrium chloride, Micro-bactch under oil, temperature 293K |