4EA7
X-ray crystal structure of PerB from Caulobacter crescentus in complex with CoA and GDP-perosamine at 1.0 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.667 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 114.858, 114.858, 114.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.000 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE MIR MODEL |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.068 | 0.374 |
| Number of reflections | 132706 | |
| <I/σ(I)> | 44.8 | 2.3 |
| Completeness [%] | 98.3 | 95.4 |
| Redundancy | 7.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 25-30% PEG5000 MME, 100 mM HEPES, pH 7.5, 5 mM CoA, 5 mM GDP, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
