2FR1
The first ketoreductase of the erythromycin synthase (crystal form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2005-05-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1159 |
Spacegroup name | P 1 |
Unit cell lengths | 42.043, 42.939, 61.044 |
Unit cell angles | 90.03, 103.81, 100.71 |
Refinement procedure
Resolution | 42.140 - 1.790 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.25700 |
Structure solution method | SAD |
Starting model (for MR) | Ab Initio |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.140 | 1.870 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.061 | 0.320 |
Number of reflections | 36130 | |
<I/σ(I)> | 8.1 | 2 |
Completeness [%] | 94.2 | 84.7 |
Redundancy | 1.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 1.5 mg/mL, 5.05 mM HEPES, 75 mM NaCl, 0.5 mM DTT, 17.5% PEG3350, 0.1 M guanidinium hydrochloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |