2BYZ
Structure of E.coli KAS I H298Q mutant in complex with C12 fatty acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.100, 139.250, 212.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 116.400 - 1.950 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ek4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 212.100 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.250 |
| Number of reflections | 113763 | |
| <I/σ(I)> | 6.8 | 2.8 |
| Completeness [%] | 94.8 | 80.7 |
| Redundancy | 4.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 1.9 M (NH4)2SO4, 2 % PEG400, 0.1 M BISTRIS-PROPANE PH 6.0 |
