2WWF
Plasmodium falciparum thymidylate kinase in complex with TMP and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-23 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 110.127, 110.127, 120.097 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 95.350 - 1.890 |
R-factor | 0.163 |
Rwork | 0.160 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e2q |
RMSD bond length | 0.025 |
RMSD bond angle | 2.007 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.300 |
Number of reflections | 67190 | |
<I/σ(I)> | 17.4 | 2.2 |
Completeness [%] | 94.3 | 47.4 |
Redundancy | 5.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 75 MM HEPES PH 7.5, 1.35 M TRI- SODIUM CITRATE, 0.125 M NACL |