2POC
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 | 2006-03-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8162 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.977, 117.832, 99.711 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.800 |
| R-factor | 0.17533 |
| Rwork | 0.175 |
| R-free | 0.20641 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1moq |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.654 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 141467 | |
| <I/σ(I)> | 20.8 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.7 |
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;, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
