8SSX
Crystal structure of Bacillus anthracis dihydrofolate reductase at 1.65-A resolution
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 | 2005-11-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 59.623, 59.623, 83.025 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.058 - 1.650 |
R-factor | 0.1859 |
Rwork | 0.184 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.978 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (v1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.042 | 0.018 | 0.431 |
Total number of observations | 144551 | ||
Number of reflections | 21011 | 2253 | 1974 |
<I/σ(I)> | 12.7 | ||
Completeness [%] | 99.5 | 99.7 | 95.5 |
Redundancy | 6.9 | 6.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Ammonium sulfate, etc. |