3FLA
RifR - Type II thioesterase from Rifamycin NRPS/PKS biosynthetic pathway - Form 1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-13 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97942, 0.97959, 0.95446 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.507, 94.648, 63.174 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1735 |
| Rwork | 0.172 |
| R-free | 0.20241 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 39950 | |
| <I/σ(I)> | 10.5 | 1.5 |
| Completeness [%] | 97.8 | 87.5 |
| Redundancy | 3.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100 mM HEPES pH 7.0, 12% PEG 8000, 50 mM CaCl2, 2 mM DTT , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
