3DL5
Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.08 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 214.807, 116.542, 219.212 |
Unit cell angles | 90.00, 95.21, 90.00 |
Refinement procedure
Resolution | 45.400 - 2.740 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qzf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.400 | 2.910 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.123 | 0.682 |
Number of reflections | 141384 | |
<I/σ(I)> | 9.5 | 2.1 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1mM ammonium sulfate, 0.2mM, lithium sulfate, 0.1mM Tris, 12% PEG-6000, flash frozen in 25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |