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 |
