7X8L
Microbial family VII carboxylesterase E93 Wild-type
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 293.15 |
Detector technology | CCD |
Collection date | 2017-02-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.996 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.850, 91.670, 110.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.860 - 1.770 |
R-factor | 0.1693 |
Rwork | 0.168 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k4y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.004 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.860 | 1.833 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.092 | 0.685 |
Rmeas | 0.096 | 0.709 |
Rpim | 0.026 | 0.184 |
Number of reflections | 45341 | 4433 |
<I/σ(I)> | 23.91 | 6.44 |
Completeness [%] | 99.7 | |
Redundancy | 14.1 | |
CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 mol/L BIS-TRIS, pH6.5 28% w/v PEG2000 |