4A3U
X-structure of the old yellow enzyme homologue from zymomonas mobilis (NCR)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-23 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.600, 90.500, 76.600 |
Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
Resolution | 43.060 - 1.700 |
R-factor | 0.24205 |
Rwork | 0.239 |
R-free | 0.30275 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gqa |
RMSD bond length | 0.016 |
RMSD bond angle | 1.945 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.100 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.110 | 0.150 |
Number of reflections | 64934 | |
<I/σ(I)> | 6.59 | 3 |
Completeness [%] | 86.8 | 49.2 |
Redundancy | 3.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | THE CRYSTALS OF NCR WERE GROWN BY THE SITTING DROP METHOD IN A BUFFER CONTAINING 15% PEG 8000, 0.1 M NA CACODYLATE, AND 0.2 M CA ACETATE, AT PH 6.5. 0.4 MICRO L DIOXAN (30%) AND 0.4 MICRO L ISOPROPANOL WERE ADDED TO THE MICRO L CRYSTALLIZATION DROPS. |