1S08
Crystal Structure of the D147N Mutant of 7,8-Diaminopelargonic Acid Synthase
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 | 2002-11-26 |
Detector | MARRESEARCH |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.080, 56.527, 120.993 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.20294 |
Rwork | 0.202 |
R-free | 0.22700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wild-type dimer |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.089 * | 0.331 * |
Total number of observations | 149282 * | |
Number of reflections | 44599 * | |
<I/σ(I)> | 11.8 | 2.9 |
Completeness [%] | 99.7 | 99.2 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | PEG4000, MPD, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 26-28 (%) | |
2 | 1 | reservoir | MPD | 9-12 (%) | |
3 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
4 | 1 | drop | protein | 10 (mg/ml) |