4UNQ
Mtb TMK in complex with compound 36
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-10 |
Detector | RIGAKU CCD |
Spacegroup name | P 32 |
Unit cell lengths | 75.459, 75.459, 71.579 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.360 - 2.300 |
R-factor | 0.17648 |
Rwork | 0.175 |
R-free | 0.21289 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g3u |
RMSD bond length | 0.014 |
RMSD bond angle | 1.347 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.400 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 20011 | |
<I/σ(I)> | 6.7 | 2.5 |
Completeness [%] | 98.9 | 97.9 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |