3JQQ
Crystal structure of the H286K mutant of Ferredoxin-NADP+ reductase from Plasmodium falciparum in complex with 2'P-AMP
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 | 2008-08-30 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 31 |
Unit cell lengths | 124.243, 124.243, 134.255 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.120 - 2.200 |
R-factor | 0.25879 |
Rwork | 0.256 |
R-free | 0.30797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ok7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.012 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.918 | 2.320 |
High resolution limit [Å] | 2.100 | 2.200 |
Rmerge | 0.114 | 0.564 |
Number of reflections | 117739 | |
<I/σ(I)> | 9.9 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch with permeable oil | 5.4 | 293 | 20% isopropanol, 20% PEG 4000, 0.1M citrate-NaOH, 2mM 2'P-AMP(Cocrystallization), pH 5.4, Microbatch with permeable oil, temperature 293K |