3DZC
2.35 Angstrom resolution structure of WecB (VC0917), a UDP-N-acetylglucosamine 2-epimerase from Vibrio cholerae.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.391, 88.127, 132.193 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.350 |
| R-factor | 0.17542 |
| Rwork | 0.172 |
| R-free | 0.23376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f6d |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.612 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.095 | 0.426 |
| Number of reflections | 40522 | |
| <I/σ(I)> | 17.9 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 1:1 V/V. Protein solution: 7.9mG/mL of protein, 0.5M NaCl, 10mM TRIS-HCL, 10 mM UDP. Reservoir solution (PACT, #23): 0.2M Calcium chloride, 0.1M MES, 20% w/v PEG 6000, pH 6.0, Vapor Diffusion, sitting drop, Temp. 295K., VAPOR DIFFUSION, SITTING DROP |
