4Y62
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 | 52.860, 149.520, 79.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.280 - 1.600 |
R-factor | 0.17592 |
Rwork | 0.176 |
R-free | 0.20054 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kc1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.312 |
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 | 1.400 |
High resolution limit [Å] | 1.600 | 1.200 |
Rmerge | 0.080 | 1.080 |
Number of reflections | 98740 | |
<I/σ(I)> | 12.2 | 2.56 |
Completeness [%] | 98.3 | 99.6 |
Redundancy | 8.9 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, ammonium sulfate, MOPS, MnCl2 |