7LCA
Zoogloea ramigera biosynthetic thiolase Y218E/delH221 mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-05 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.450, 79.340, 149.140 |
Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
Resolution | 46.430 - 2.000 |
R-factor | 0.3255 |
Rwork | 0.261 |
R-free | 0.28280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qfl |
RMSD bond length | 0.002 |
RMSD bond angle | 0.578 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.430 | 46.430 | 2.040 |
High resolution limit [Å] | 2.000 | 10.970 | 2.000 |
Rmerge | 0.453 | 0.098 | 3.095 |
Rmeas | 0.489 | 0.107 | 3.389 |
Rpim | 0.181 | 0.040 | 1.352 |
Total number of observations | 945765 | 5793 | 36673 |
Number of reflections | 132236 | 864 | 6307 |
<I/σ(I)> | 4 | 11.7 | 0.6 |
Completeness [%] | 99.8 | 98.8 | 96.2 |
Redundancy | 7.2 | 6.7 | 5.8 |
CC(1/2) | 0.967 | 0.994 | 0.288 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 289 | 1.3 M (NH4)2SO4, 0.5 M Li2SO4, 0.1 M sodium citrate pH 5.5, 1 mM DTT, 1 mM EDTA, 1 mM NaN3 |