2PUT
The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.81620 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.028, 118.188, 100.032 |
| Unit cell angles | 90.00, 91.78, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.900 |
| R-factor | 0.17165 |
| Rwork | 0.171 |
| R-free | 0.21508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2poc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.687 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 120651 | |
| <I/σ(I)> | 22 | 3 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, 30% v/v 2-methyl-2,4-pentanediol, 10-fold excess of UDP-GlcNAc and Glc-6-P; crystals soaked with large excess of Fru-6-P, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
