7C4D
Marine microorganism esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97892 |
Spacegroup name | P 32 |
Unit cell lengths | 67.000, 67.000, 62.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.020 - 2.030 |
Rwork | 0.200 |
R-free | 0.26130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bf8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.430 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.024 | 2.080 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.097 | 2.130 |
Number of reflections | 20051 | 1421 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 99.7 | 95.8 |
Redundancy | 7.5 | 4.3 |
CC(1/2) | 0.997 | 0.354 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 20% PEG 8000, 50mM Li2SO4, 50mM Na2SO4, MES pH 5.5 |