2OBX
Lumazine synthase RibH2 from Mesorhizobium loti (Gene mll7281, Swiss-Prot entry Q986N2) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.385, 122.218, 94.929 |
Unit cell angles | 90.00, 125.43, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.530 |
R-factor | 0.2165 |
Rwork | 0.213 |
R-free | 0.28050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t13 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.413 |
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] | 87.700 | 2.660 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.074 | 0.255 |
Number of reflections | 46427 | |
<I/σ(I)> | 9.7 | 2.9 |
Completeness [%] | 96.7 | 89.2 |
Redundancy | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 292 | 16% PEG 4000, 15% isopropanol, 20mM sodium/potassium phosphate pH 7.0, 0.1M ammonium sulfate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 292K |