2Y46
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-01-04 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.271, 101.013, 441.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 220.770 - 1.830 |
R-factor | 0.161 |
Rwork | 0.157 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2Y4H |
RMSD bond length | 0.023 |
RMSD bond angle | 1.884 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 147.180 | 1.930 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.080 | 0.560 |
Number of reflections | 95693 | |
<I/σ(I)> | 11.1 | 1.5 |
Completeness [%] | 83.1 | 36.2 |
Redundancy | 5.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 296 | 12% PEG MME 5000, 5% TACSIMATE PH 7.0, 1% BENZAMIDINE HYDROCHLORIDE, TEMP 23 C |