3CQK
Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+ and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-14 |
| Wavelength(s) | 0.9798 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 105.028, 132.550, 82.079 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.240 - 2.330 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cqh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.326 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 5.000 | 2.320 |
| Rmerge | 0.078 | 0.035 | 0.344 |
| Number of reflections | 43820 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 92.4 | 99.9 | 65.5 |
| Redundancy | 7 | 7.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | PEG 8000, Li2SO4, pH 8.5, vapor diffusion, hanging drop, temperature 294K |
