7ED1
Transferase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.559, 73.858, 65.196 |
Unit cell angles | 90.00, 94.73, 90.00 |
Refinement procedure
Resolution | 29.450 - 1.650 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.637 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 64434 | 3113 |
<I/σ(I)> | 16.44 | |
Completeness [%] | 97.2 | |
Redundancy | 4.1 | |
CC(1/2) | 0.996 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M MES, pH 6.5, 0.2 M calcium chloride, 33%(v/v) PEG4000 |