4EIV
1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.982, 73.284, 96.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.420 - 1.370 |
R-factor | 0.15327 |
Rwork | 0.152 |
R-free | 0.18485 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.428 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.390 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.047 | 0.602 |
Number of reflections | 107282 | |
<I/σ(I)> | 27.99 | 2.86 |
Completeness [%] | 99.4 | 100 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | The PACT suite B7(#19)-0.2 M NaCl, 0.1 M MES pH 6.0, 20% (w/v) PEG 6k. Protein at 12.7 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME. , VAPOR DIFFUSION, SITTING DROP, temperature 295K |