3FWS
Crystal Structure of the CBS domains from the Bacillus subtilis CcpN repressor complexed with AppNp, phosphate and magnesium ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 78 |
| Detector technology | CCD |
| Collection date | 2006-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97549 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.025, 103.969, 98.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.170 - 2.030 |
| R-factor | 0.19233 |
| Rwork | 0.189 |
| R-free | 0.26203 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fv6 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.366 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.990 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.086 | 0.417 |
| Number of reflections | 18288 | |
| <I/σ(I)> | 15.2 | 3.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 17% PEG 2000 MME, 0.1M HEPES, 8mg/ml Protein; Drops 1+1 microliter, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
