4PNU
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.895, 67.193, 81.016 |
| Unit cell angles | 90.00, 114.54, 90.00 |
Refinement procedure
| Resolution | 28.270 - 1.900 |
| R-factor | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mmi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.265 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.032 | 0.018 | 0.380 |
| Number of reflections | 61540 | ||
| <I/σ(I)> | 18.3 | ||
| Completeness [%] | 99.7 | 100 | 97.4 |
| Redundancy | 3.5 | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | 100mM MES, 100-150mM CaCl2, 25-30%(v/v) PEG400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
