5V59
Crystal structure of catalytic fragment of human AlaRS in complex with Aze-SA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-12-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.330, 67.270, 86.350 |
Unit cell angles | 90.00, 136.23, 90.00 |
Refinement procedure
Resolution | 59.730 - 2.030 |
R-factor | 0.1817 |
Rwork | 0.180 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xem |
RMSD bond length | 0.007 |
RMSD bond angle | 1.227 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.734 | 42.924 | 2.140 |
High resolution limit [Å] | 2.030 | 6.430 | 2.030 |
Rmerge | 0.026 | 0.320 | |
Rmeas | 0.069 | 0.030 | 0.373 |
Rpim | 0.034 | 0.015 | 0.189 |
Number of reflections | 27565 | ||
<I/σ(I)> | 15.7 | 21.1 | 2.4 |
Completeness [%] | 99.2 | 99.6 | 94.8 |
Redundancy | 3.9 | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 310 | 25% PEG6000, 100 mM Tris-HCl, pH 8.0 |