2PBF
Crystal structure of a putative protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase (PCMT) from Plasmodium falciparum in complex with S-adenosyl-L-homocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-03-25 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 32 |
Unit cell lengths | 75.156, 75.156, 77.389 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.810 - 2.000 |
R-factor | 0.22644 |
Rwork | 0.224 |
R-free | 0.26789 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l1n |
RMSD bond length | 0.013 |
RMSD bond angle | 1.503 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.899 |
Number of reflections | 33234 | |
<I/σ(I)> | 22 | 2 |
Completeness [%] | 99.1 | 90.7 |
Redundancy | 5.3 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 25% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Hepes pH 7.2, 2 mM SAH, VAPOR DIFFUSION, SITTING DROP, temperature 298K |