4Y64
AAGlyB in complex with amino-acid analogues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.954 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.940, 150.020, 80.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.370 - 1.600 |
R-factor | 0.19003 |
Rwork | 0.188 |
R-free | 0.25835 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kc1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.502 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 1.800 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.150 | 1.210 |
Number of reflections | 41838 | |
<I/σ(I)> | 12.22 | 1.69 |
Completeness [%] | 98.3 | 100 |
Redundancy | 8.9 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, ammonium sulfate, MOPS, MnCl2 |