2IYT
Shikimate kinase from Mycobacterium tuberculosis in unliganded state, open LID (conf. A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-07 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 44.192, 44.192, 152.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 1.470 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iys |
RMSD bond length | 0.021 |
RMSD bond angle | 1.766 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.730 | 1.510 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.100 | 0.720 |
Number of reflections | 26142 | |
<I/σ(I)> | 7.15 | 2.04 |
Completeness [%] | 97.6 | 98.7 |
Redundancy | 4.05 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 170MM NA ACETATE, 15%(V/V) GLYCEROL, 25.5%(W/V) PEG 4000, 85MM TRIS-HCL PH 8.5 |