2C94
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-16 |
Detector | MARRESEACH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 131.384, 81.251, 85.883 |
Unit cell angles | 90.00, 120.25, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.178 |
Rwork | 0.175 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w19 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.415 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.360 |
Number of reflections | 58728 | |
<I/σ(I)> | 13.5 | 1.37 |
Completeness [%] | 95.9 | 80.3 |
Redundancy | 2 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | pH 6.40 |