4ZSY
Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.94 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.595, 227.194, 71.304 |
Unit cell angles | 90.00, 108.82, 90.00 |
Refinement procedure
Resolution | 49.703 - 1.700 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19000 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.027 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.068 | 0.038 | 0.843 |
Rmeas | 0.079 | 0.045 | |
Rpim | 0.044 | 0.024 | 0.578 |
Total number of observations | 712557 | ||
Number of reflections | 224347 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 97.5 | 99.5 | 95.3 |
Redundancy | 3.2 | 3.5 | 2.9 |
CC(1/2) | 0.997 | 0.472 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.1 M Ammonium acetate, 0.1 M Bis-Tris (pH: 5.5), and 17% w/v PEG 10,000 in well solution, pre-inactivated protein at concentration of 12 mg/ml |