5NOO
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex
Replaces: 4IQQExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION NOVA |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2010-12-03 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.085, 94.314, 122.048 |
Unit cell angles | 90.00, 105.36, 90.00 |
Refinement procedure
Resolution | 14.700 - 2.900 |
Rwork | 0.210 |
R-free | 0.24730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eb4 |
Data reduction software | CrysalisPro (1.171.36.20) |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.700 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.135 | 0.375 |
Number of reflections | 32822 | |
<I/σ(I)> | 4.6 | |
Completeness [%] | 96.4 | 99.1 |
Redundancy | 1.8 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Bis-Tris pH 7.0, 0.2M NaAcetate, 17% PEG 3350 |