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 |