4CJX
The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-17 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.220, 77.325, 128.908 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.450 - 2.050 |
R-factor | 0.18273 |
Rwork | 0.180 |
R-free | 0.22778 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a26 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.470 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.450 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.110 | 0.480 |
Number of reflections | 37335 | |
<I/σ(I)> | 9.1 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20 % PEG 6000, 0.1 M CITRIC ACID PH 5.0 |