1SEJ
Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07-18 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 214.900, 116.300, 219.700 |
Unit cell angles | 90.00, 95.23, 90.00 |
Refinement procedure
Resolution | 45.150 - 2.870 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qzf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.105 | 0.386 |
Number of reflections | 111987 | |
<I/σ(I)> | 8.6 | 1.9 |
Completeness [%] | 81.0 | 90 |
Redundancy | 4.5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | PEG 6000, lithium sulfate, ammonium sulfate, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |