3TYZ
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.179, 50.522, 74.668 |
Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.070 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.144 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.110 |
High resolution limit [Å] | 2.070 | 5.620 | 2.070 |
Rmerge | 0.056 | 0.020 | 0.293 |
Number of reflections | 31898 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.0 | 99 | 92.8 |
Redundancy | 4.1 | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 20,000, MES(pH6.5), pH 6-7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |