4CCY
Crystal structure of carboxylesterase CesB (YbfK) from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-05 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 82.110, 44.010, 108.660 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 108.600 - 2.040 |
| R-factor | 0.20599 |
| Rwork | 0.204 |
| R-free | 0.25013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ccw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.140 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.130 | 0.390 |
| Number of reflections | 47148 | |
| <I/σ(I)> | 7.1 | 2.9 |
| Completeness [%] | 92.8 | 76.1 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | SITTING DROPS WITH 20% PEG3350, 0.2M SODIUM FLUORIDE, 100 MM BIS-TRIS PROPANE BUFFER, pH 6.5 |
