4UNR
Mtb TMK in complex with compound 23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-31 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 75.508, 75.508, 71.447 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.390 - 1.980 |
| R-factor | 0.17968 |
| Rwork | 0.178 |
| R-free | 0.20759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g3u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.375 |
| 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] | 71.000 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 31560 | |
| <I/σ(I)> | 12.3 | 2.3 |
| Completeness [%] | 99.1 | 95.3 |
| Redundancy | 5.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | Well soln: 0.1M PCTP, pH6.8, 4.5M NaCl |
