2F64
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-14 |
Detector | MARRESEARCH |
Wavelength(s) | 0.92014 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 59.827, 75.351, 87.048 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.600 |
R-factor | 0.1663 |
Rwork | 0.165 |
R-free | 0.18712 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a0k |
RMSD bond length | 0.006 |
RMSD bond angle | 0.934 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.686 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 46217 | |
<I/σ(I)> | 11 | 2.2 |
Completeness [%] | 95.6 | 92.53 |
Redundancy | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 30 % PEG MME 2000, 0.2 ammonium sulfate, 0.1 sodium acetate trihydrate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |