1PU2
Crystal Structure of the K246R Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2002-07-18 |
Detector | SBC-3 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 113.816, 54.724, 57.172 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.330 - 2.060 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nwc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 27081 | |
<I/σ(I)> | 31.6 | 4.8 |
Completeness [%] | 97.5 | 30.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 24% PEG 3350, 0.2M ammonium acetate, 0.1 Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |