5HJ5
Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE-6-PHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 63 |
| Unit cell lengths | 113.093, 113.093, 215.683 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.023 - 1.700 |
| R-factor | 0.1371 |
| Rwork | 0.135 |
| R-free | 0.16970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r7t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.828 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.076 | 0.032 | 0.735 |
| Rmeas | 0.081 | 0.035 | 0.806 |
| Rpim | 0.027 | 0.012 | 0.326 |
| Total number of observations | 1460271 | ||
| Number of reflections | 170772 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.6 | 8.9 | 6 |
| CC(1/2) | 0.999 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 297 | 0.1 M Ammonium acetate, 0.1M Bis-Tris, 17 % PEG1-K, 10 mM Praseodymium(III) acetate |
