5X04
12:0-ACP thioesterase from Umbellularia californica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97776 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.598, 69.874, 148.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.624 - 2.430 |
R-factor | 0.2236 |
Rwork | 0.220 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gak |
RMSD bond length | 0.004 |
RMSD bond angle | 1.031 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.510 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.124 | 0.474 |
Number of reflections | 25401 | 2457 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 99.8 | 98.28 |
Redundancy | 11.9 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 300 | 25% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Tris-HCl |