2QIE
Staphylococcus aureus molybdopterin synthase in complex with precursor Z
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 56.639, 58.100, 331.817 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.209 |
Rwork | 0.207 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q5w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.077 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 6.160 | 2.500 |
Rmerge | 0.071 | 0.040 | 0.631 |
Number of reflections | 38004 | ||
<I/σ(I)> | 13.9 | ||
Completeness [%] | 96.9 | 99.3 | 83.1 |
Redundancy | 5.3 | 5.2 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 18% PEG 8000, 0.1% polyvinylpyrrollidone K15, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |