4MLQ
Crystal structure of Bacillus megaterium porphobilinogen deaminase
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 | 2013-04-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.010, 65.120, 96.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.330 - 1.600 |
| R-factor | 0.16462 |
| Rwork | 0.161 |
| R-free | 0.24215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.142 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.330 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.088 | 1.493 |
| Number of reflections | 42866 | |
| <I/σ(I)> | 10.1 | 0.9 |
| Completeness [%] | 95.6 | 88.7 |
| Redundancy | 6.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M sodium cacodylate, 0.2M magnesium acetate, 25-30% PEG 8K, pH 6.5 - 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
