3ITQ
Crystal Structure of a Prolyl 4-Hydroxylase from Bacillus anthracis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.912, 0.9793, 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.383, 64.067, 98.630 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 32.500 - 1.400 |
| R-factor | 0.19615 |
| Rwork | 0.195 |
| R-free | 0.21054 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.544 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 53.380 |
| High resolution limit [Å] | 1.400 |
| Rmerge | 0.050 |
| Number of reflections | 99692 |
| Completeness [%] | 100.0 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.1 | 293 | 16% (w/v) PEG-8000, 40 mM potassium phosphate (monobasic), and 20% (v/v) glycerol, pH 4.1, VAPOR DIFFUSION, temperature 293K |
