7DP6
Crystal structure of mutant V45T Brugia malayi thymidylate synthase complexed with 2'-deoxyuridine monophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-11-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.720, 80.720, 104.445 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.679 - 1.850 |
| Rwork | 0.176 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hvy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.427 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.028 | 0.496 |
| Rmeas | 0.031 | 0.560 |
| Rpim | 0.014 | 0.257 |
| Number of reflections | 34055 | 3402 |
| <I/σ(I)> | 51.2 | 3.47 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.7 | 4.7 |
| CC(1/2) | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 273 | 0.1 M Tris-HCl, 20 mM betamercaptoethanol, 8%(w/v) PEG 4000 |
