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 |