4UTT
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.989, 75.501, 82.234 |
| Unit cell angles | 90.22, 90.01, 92.83 |
Refinement procedure
| Resolution | 82.200 - 1.710 |
| R-factor | 0.1523 |
| Rwork | 0.151 |
| R-free | 0.18547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yxy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.498 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.450 | 1.810 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.150 | 0.340 |
| Number of reflections | 48011 | |
| <I/σ(I)> | 8.9 | 2 |
| Completeness [%] | 96.6 | 77 |
| Redundancy | 4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M NA CACODYLATE PH 6.5, 0.2 M CA ACETATE, 24.5% (W/V) PEG 2K MME AND 5% (V/V) PEG 400 |
