4P1C
CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S, C84A, C85A VARIANT ELECTRON-TRANSFER COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.227, 106.353, 213.418 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.690 - 2.400 |
R-factor | 0.156 |
Rwork | 0.153 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dhg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.077 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE: DEV_1184)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.690 | 2.430 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 81284 | |
<I/σ(I)> | 12.4 | 2 |
Completeness [%] | 94.6 | 93 |
Redundancy | 6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 100 MM MOPS/HEPES, 20% PEG 3350, 5% JEFFAMINE 200 MM AMMONIUM CHLORIDE, 10 MM MGCL2, PH 7.5, VAPOR DIFFUSION, TEMPERATURE 292K |