3VML
Chimera 3-isopropylmalate dehydrogenase between Shewanella oneidensis MR-1 (O) and Shewanella benthica DB21 MT-2 (M) from N-terminal: 20% O middle 70% M residual 10% O
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-22 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 89.008, 107.523, 83.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.250 - 1.560 |
R-factor | 0.17907 |
Rwork | 0.177 |
R-free | 0.20903 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a05 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.364 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
High resolution limit [Å] | 1.560 | 4.230 | 1.560 |
Rmerge | 0.066 | 0.043 | 0.403 |
Number of reflections | 56022 | ||
<I/σ(I)> | 14.9 | ||
Completeness [%] | 98.4 | 93.6 | 94.1 |
Redundancy | 4.5 | 4.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7.5 | 293 | PEG 3350, sodium chloride, HEPES, pH 7.5, hanging drop, temperature 293K |