4EX6
Crystal structure of the alnumycin P phosphatase AlnB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.929, 62.378, 62.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.250 |
| R-factor | 0.12073 |
| Rwork | 0.119 |
| R-free | 0.15315 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hsz |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.842 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.280 | 38.120 | 1.320 |
| High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
| Rmerge | 0.047 | 0.035 | 0.181 |
| Number of reflections | 46971 | ||
| <I/σ(I)> | 25.2 | 54 | 7.5 |
| Completeness [%] | 89.1 | 96.5 | 53.4 |
| Redundancy | 7.8 | 7.3 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 30% PEG1500, 0.1M MIB buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
