1QFL
BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA IN COMPLEX WITH A REACTION INTERMEDIATE.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 1998-12-01 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.459, 78.864, 149.745 |
Unit cell angles | 90.00, 93.43, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.920 |
R-factor | 0.209 * |
Rwork | 0.209 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1afw |
RMSD bond length | 0.018 |
RMSD bond angle | 0.041 |
Data reduction software | XDS (V. 1999) |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 130872 | |
<I/σ(I)> | 7 | 5 |
Completeness [%] | 93.0 | 77 |
Redundancy | 4.4 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | 21 * | 1 M LITHIUM SULPHATE, 0.9 M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 5.0 A REACTION INTERMEDIATE WAS TRAPPED BY FLASH-FREEZING THE CRYSTAL AFTER A SHORT SOAK WITH ACETOACETYL-COA SUBSTRATE. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | |
2 | 1 | drop | acetoacetyl-CoA | 5 (mM) | |
3 | 1 | reservoir | lithium sulfate | 1 (M) | |
4 | 1 | reservoir | ammonium sulfate | 0.9 (M) | |
5 | 1 | reservoir | sodium acetate | 0.1 (M) | pH5.0 |
6 | 1 | reservoir | dithiothreitol | 1 (mM) | |
7 | 1 | reservoir | EDTA | 1 (mM) | |
8 | 1 | reservoir | sodium azide | 1 (mM) |