1RQ2
MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-30 |
Detector | ADSC QUANTUM 1 |
Spacegroup name | P 65 |
Unit cell lengths | 88.116, 88.116, 176.807 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.860 |
R-factor | 0.18887 |
Rwork | 0.187 |
R-free | 0.22169 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fsz |
RMSD bond length | 0.015 |
RMSD bond angle | 1.448 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | EPMR |
Refinement software | REFMAC (5.1.27) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.061 | 0.409 |
Number of reflections | 68271 | |
<I/σ(I)> | 11.4 | 1.3 |
Completeness [%] | 99.1 | |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 293 | 30% PEG 4000, 0.1M SODIUM CITRATE, 0.2M AMMONIUM ACETATE, 2MM SRI-7614, ETHYL (6-AMINO-2,3-DIHYDRO-4-PHENYL-1H-PYRIDO[4,3-B][1,4]DIAZEPIN-8-YL)-CARBAMATE, WAS INCLUDED AS WELL, BUT WAS NOT LOCATED IN THE FINAL STRUCTURE, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.60 |