7P5O
Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 98.570, 209.610, 61.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.200 - 2.480 |
R-factor | 0.2041 |
Rwork | 0.201 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5epc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.629 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.200 | 2.530 |
High resolution limit [Å] | 2.480 | 2.480 |
Number of reflections | 44960 | 2259 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 98.4 | |
Redundancy | 4.2 | |
CC(1/2) | 0.994 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 90 mM sodium fluoride, 90 mM sodium bromide, 90 mM sodium iodide, 100 mM Tris-bicine pH 8.5, 20% v/v polyethylene glycol 550 MME, 10 % w/v polyethylene glycol 20000 |