5IQ3
Crystal structure of Esterase mutant - F72G/L255W
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.00004 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 195.521, 95.877, 98.527 |
Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
Resolution | 25.360 - 1.750 |
R-factor | 0.169 |
Rwork | 0.169 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.109 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.360 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 182179 | |
<I/σ(I)> | 33.67 | 4.63 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.2 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 299 | 2.4 M sodium malonate (pH 7.0) |