1T13
Crystal Structure Of Lumazine Synthase From Brucella Abortus Bound To 5-nitro-6-(D-ribitylamino)-2,4(1H,3H) pyrimidinedione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 115 |
Detector technology | CCD |
Collection date | 2003-07-11 |
Detector | MARRESEARCH |
Wavelength(s) | 1.431 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 126.321, 126.321, 165.669 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.000 - 2.900 |
Rwork | 0.217 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1di0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.093 | 0.307 |
Number of reflections | 34456 | |
<I/σ(I)> | 6.6 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.7 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 30% PEG 400, 0.1M Na MES pH=6.5, 0.1M Na Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 294K |