2BF5
Crystal structure of a toluene 4-monooxygenase catalytic effector protein variant missing four N-terminal residues (delta-N4 T4moD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-21 |
Detector | MARRESEARCH |
Spacegroup name | P 21 3 |
Unit cell lengths | 86.215, 86.215, 86.215 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.000 - 1.710 |
R-factor | 0.157 |
Rwork | 0.154 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NATIVE TOLUENE 4-MONOOXYGENASE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.583 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | 1.800 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.120 | 0.350 |
Number of reflections | 23407 | |
<I/σ(I)> | 3.4 | 1.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 21.8 | 21.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | PROTEIN WAS CRYSTALLIZED FROM 2.0 M AMMONIUM SULFATE, 5% (V/V) 2-PROPANOL, AND 1.5% (V/V) 1,2,3-HEPTANETRIOL. |