4WIU
Crystal Structure of PEPCK (Rv0211) from Mycobacterium tuberculosis in complex with oxalate and Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-31 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.969, 122.739, 64.697 |
| Unit cell angles | 90.00, 116.98, 90.00 |
Refinement procedure
| Resolution | 31.784 - 2.020 |
| R-factor | 0.1571 |
| Rwork | 0.155 |
| R-free | 0.19530 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.015 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
| High resolution limit [Å] | 2.020 | 5.480 | 2.020 |
| Rmerge | 0.107 | 0.079 | 0.215 |
| Total number of observations | 173856 | ||
| Number of reflections | 45100 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 95.2 | 98.6 | 92.6 |
| Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10% (w/v) PEG 3350, 0.2 M KH2PO4 |
