4RCG
Crystal Structure Analysis of MTB PEPCK without Mn+2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-03-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.412, 124.277, 121.635 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.400 - 2.600 |
| R-factor | 0.2104 |
| Rwork | 0.207 |
| R-free | 0.27130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r43 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.890 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 2.760 | ||
| High resolution limit [Å] | 2.600 | 7.730 | 2.600 |
| Rmerge | 0.135 | 0.058 | 0.548 |
| Number of reflections | 24338 | 1009 | 3739 |
| <I/σ(I)> | 10.56 | 23.77 | 3.07 |
| Completeness [%] | 99.0 | 97.9 | 95.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M sodium acetate, 30%PEG 300, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
