3CQJ
Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+
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) | 1.282 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.208, 132.596, 81.798 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.040 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cqh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.158 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.040 | 4.420 | 2.050 |
| Rmerge | 0.072 | 0.038 | 0.387 |
| Number of reflections | 67609 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 97.6 | 99.9 | 81.7 |
| Redundancy | 6.7 | 7.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | PEG 4000, NaCl, pH 7.0, vapor diffusion, hanging drop, temperature 294K |
