5LM3
Plasmodium falciparum nicotinic acid mononucleotide adenylyltransferase complexed with APC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033208 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.240, 38.920, 62.710 |
Unit cell angles | 90.00, 113.54, 90.00 |
Refinement procedure
Resolution | 32.230 - 2.500 |
R-factor | 0.2145 |
Rwork | 0.211 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5llt |
RMSD bond length | 0.001 |
RMSD bond angle | 0.388 |
Data reduction software | XDS (20151231) |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.200 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.123 | 0.815 |
Number of reflections | 8537 | |
<I/σ(I)> | 8.16 | 2.05 |
Completeness [%] | 98.2 | 99.5 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.995 | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 300 | 14 mg/ml, 0.15 M bicine, pH 8.5 and 19% PEG 6000, 5mM APC |