3ZOK
Structure of 3-Dehydroquinate Synthase from Actinidia chinensis in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.060, 150.970, 84.750 |
| Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
| Resolution | 45.500 - 2.400 |
| R-factor | 0.18676 |
| Rwork | 0.183 |
| R-free | 0.25251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nr5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.663 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.320 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.120 | 0.420 |
| Number of reflections | 55631 | |
| <I/σ(I)> | 9.2 | 3.1 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M SPG BUFFER (PH 7.0), 25% PEG 1500, 0.25 MM COCL2, 0.0003 MM NAD |
