2BZ3
Structure of E.coli KAS I H298E 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 | 2004-10-02 |
Detector | MARREASEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.137, 139.171, 212.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.590 - 2.000 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.22900 |
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] | 32.400 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.250 |
Number of reflections | 116192 | |
<I/σ(I)> | 6.6 | 2.4 |
Completeness [%] | 98.1 | 96.9 |
Redundancy | 5.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 1.9 M (NH4)2SO4, 2 % PEG400, 0.1 M BISTRIS-PROPANE PH 6.0 |