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 |