3HEA
The L29P/L124I mutation of Pseudomonas fluorescens esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 32 |
| Unit cell lengths | 145.586, 145.586, 128.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.100 - 1.900 |
| R-factor | 0.19113 |
| Rwork | 0.190 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1va4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.930 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.100 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 231042 | |
| <I/σ(I)> | 10.5 | 3 |
| Completeness [%] | 96.5 | 93.5 |
| Redundancy | 2.62 | 2.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.7 M ammonium phosphate, 0.1 M Na,K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
