4GIB
2.27 Angstrom Crystal Structure of beta-Phosphoglucomutase (pgmB) from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.807, 51.364, 79.442 |
| Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
| Resolution | 29.920 - 2.270 |
| R-factor | 0.1962 |
| Rwork | 0.193 |
| R-free | 0.25911 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z4n |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.252 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.097 | 0.439 |
| Number of reflections | 21526 | |
| <I/σ(I)> | 11.7 | 2.6 |
| Completeness [%] | 99.3 | 97.4 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | Protein: 7.6mg/mL, 0.25M Sodium cloride, 0.01M Tris-HCl, pH 8.3. Screen: PACT (A3), 0.1M SPG buffer, pH 6.0, 25% (w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
