4I8A
Alanine-glyoxylate aminotransferase variant S187F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.812 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.892, 101.564, 116.749 |
Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
Resolution | 18.070 - 2.900 |
R-factor | 0.25273 |
Rwork | 0.251 |
R-free | 0.27813 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h0c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.466 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.090 |
High resolution limit [Å] | 2.620 |
Rmerge | 0.195 |
Number of reflections | 53733 |
<I/σ(I)> | 4.5 |
Completeness [%] | 96.7 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES (pH 7.5), 0.1 M LiSO4, 23 % [w/w] PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |