4NML
2.60 Angstrom resolution crystal structure of putative ribose 5-phosphate isomerase from Toxoplasma gondii ME49 in complex with DL-Malic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-31 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 95.590, 95.590, 112.694 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.530 - 2.600 |
R-factor | 0.16643 |
Rwork | 0.164 |
R-free | 0.20477 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.711 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.094 | 0.616 |
Number of reflections | 16774 | |
<I/σ(I)> | 44.9 | 5.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.2 | 14.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | protein at 7.1 mg/mL in 10 mM Tris-HCl pH 8.3 500 mM NaCl 5 mM BME, crystallization The JCSG+ suite (F8 or #68): 2.1 M DL-Malic acid pH 7.0, cryo 1:1 (v/v) 50% sucrose and F8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |