1PQU
Crystal Structure of the H277N Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with NADP, S-methyl cysteine sulfoxide and cacodylate
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 1 21 1 |
Unit cell lengths | 72.929, 76.579, 134.097 |
Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
Resolution | 44.650 - 1.920 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nwc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
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 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 99660 | |
<I/σ(I)> | 10.7 | 2.5 |
Completeness [%] | 89.0 | 90.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 24% PEG 3350, 0.2M Ammonium acetate, 100 mM cacodylate, pH 6.5, 2 mM NADP, 2 mM S-methyl cysteine sulfoxide, VAPOR DIFFUSION, HANGING DROP, temperature 298K |