4UNP
Mtb TMK in complex with compound 34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-14 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 65.140, 65.140, 134.818 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.150 - 2.300 |
R-factor | 0.18797 |
Rwork | 0.187 |
R-free | 0.21413 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g3u |
RMSD bond length | 0.017 |
RMSD bond angle | 1.491 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0090) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.060 | 0.370 |
Number of reflections | 15212 | |
<I/σ(I)> | 11 | 2.6 |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |