5BPK
Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-26 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.777, 112.006, 91.854 |
Unit cell angles | 90.00, 90.79, 90.00 |
Refinement procedure
Resolution | 91.800 - 1.490 |
R-factor | 0.1449 |
Rwork | 0.144 |
R-free | 0.18370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nqo |
RMSD bond length | 0.008 |
RMSD bond angle | 1.221 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.840 | 1.550 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.070 | 0.510 |
Number of reflections | 176874 | |
<I/σ(I)> | 16.6 | |
Completeness [%] | 99.2 | 98.5 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | PEG3350, 0.1M TRIS |