5IQ0
Crystal structure of Esterase mutant - F72G
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 | 2014-03-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97935 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 196.248, 95.637, 99.135 |
Unit cell angles | 90.00, 95.51, 90.00 |
Refinement procedure
Resolution | 36.167 - 1.799 |
R-factor | 0.1757 |
Rwork | 0.175 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jkm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.023 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 36.170 |
High resolution limit [Å] | 1.799 |
Number of reflections | 167878 |
<I/σ(I)> | 44.86 |
Completeness [%] | 97.9 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 299 | 2.4 M sodium malonate (pH 7.0) |