6JBZ
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97860 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 114.076, 114.076, 121.369 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.030 - 2.603 |
R-factor | 0.2084 |
Rwork | 0.206 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qie |
RMSD bond length | 0.008 |
RMSD bond angle | 1.048 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.187 | 0.650 |
Rpim | 0.038 | |
Number of reflections | 24895 | 1993 |
<I/σ(I)> | 16.8 | 4.7 |
Completeness [%] | 98.8 | 98.2 |
Redundancy | 25 | 24.5 |
CC(1/2) | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Sodium chloride,BIS-TRIS,Ammonium sulfate |