3NOJ
The structure of HMG/CHA aldolase from the protocatechuate degradation pathway of Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-19 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 111.180, 111.180, 139.273 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.220 - 1.820 |
| R-factor | 0.15942 |
| Rwork | 0.159 |
| R-free | 0.17079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nxj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.046 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 27093 | |
| <I/σ(I)> | 12 | 4.4 |
| Completeness [%] | 90.8 | 89.4 |
| Redundancy | 6.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 10% PEG 4000, 0.1 M Na acetate, 10 mM MgCl2, 5 mM pyruvate, 21 mg/ml protein, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
