4YZR
Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.810, 66.690, 74.540 |
| Unit cell angles | 90.00, 107.68, 90.00 |
Refinement procedure
| Resolution | 46.500 - 1.350 |
| R-factor | 0.18395 |
| Rwork | 0.183 |
| R-free | 0.21087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a50 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.393 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.650 |
| High resolution limit [Å] | 1.350 |
| Rmerge | 0.088 |
| Number of reflections | 98866 |
| <I/σ(I)> | 10.3 |
| Completeness [%] | 99.9 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | Morpheus TM screen Condition B1: 0.09 M Halogen, 0.1 M Imidazole, MES pH 6.5, 30% P550MME-P20K |
