2Y98
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 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 | 2009-07-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 56.285, 162.025, 50.394 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 162.020 - 1.650 |
R-factor | 0.15075 |
Rwork | 0.148 |
R-free | 0.20611 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z36 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.173 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.010 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.070 | 0.630 |
Number of reflections | 47944 | |
<I/σ(I)> | 15 | 1.6 |
Completeness [%] | 84.9 | 40.6 |
Redundancy | 6.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 296 | 8% PEG 4000, 0.2 M AMMONIUM SULFATE, 0.1 M BISTRIS PH 5.5, TEMP 23 C |