3WHR
Crystal structure of gamma-glutamyltranspeptidase from Bacillus subtilis (crystal soaked for 3min. in acivicin soln. )
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.786, 71.802, 142.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.220 - 1.580 |
R-factor | 0.16835 |
Rwork | 0.168 |
R-free | 0.18404 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a75 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.203 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.170 | |
Number of reflections | 81531 | |
Completeness [%] | 98.1 | 97.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Oil batch | 7 | 293 | 26% (w/v) PEG 3350, 0.7M sodium thiocyanate, 6% (v/v) ethylene glycol, pH 7.0, Oil batch, temperature 293K |