4WPV
Crystal Structure of E83A mutant of Mtb PEPCK in complex with Zn2+ and phosphate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2011-07-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.2835 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.762, 122.281, 63.984 |
| Unit cell angles | 90.00, 116.88, 90.00 |
Refinement procedure
| Resolution | 47.814 - 1.672 |
| R-factor | 0.1562 |
| Rwork | 0.155 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wie |
| Data reduction software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
| Rmerge | 0.043 | 0.029 | 0.140 |
| Total number of observations | 329340 | ||
| Number of reflections | 81050 | ||
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 99.5 | 99.1 | 91.5 |
| Redundancy | 4.1 | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10-16% (w/v) PEG 3350, 0.2 M KH2PO4 |
