5WDG
Acetolactate Synthase from Klebsiella pneumoniae in Complex with a Reaction Intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 85.470, 134.410, 110.745 |
| Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
| Resolution | 55.122 - 2.120 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ozh |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.612 |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.240 | 85.240 | 2.160 |
| High resolution limit [Å] | 2.120 | 10.150 | 2.120 |
| Rmerge | 0.129 | 0.047 | 1.124 |
| Rmeas | 0.153 | 0.057 | 1.340 |
| Rpim | 0.082 | 0.031 | 0.723 |
| Total number of observations | 238251 | ||
| Number of reflections | 70789 | ||
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 99.9 | 97.8 | 99.7 |
| Redundancy | 3.4 | 3.3 | 3.3 |
| CC(1/2) | 0.988 | 0.994 | 0.189 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M NaHEPES, 5-10% PEG8000, and 3-12% ethylene glycol |
