3PY6
Crystal Structure of a Beta-Lactamase-Like Protein from Brucella Melitensis bound to GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.860, 75.230, 98.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.430 - 1.700 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3md7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.517 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.037 | 0.147 |
Number of reflections | 29984 | |
<I/σ(I)> | 39.96 | 9.1 |
Completeness [%] | 99.5 | 93.1 |
Redundancy | 9.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 15-18% PEG 3350, 200mM K/Na tartrate, 100mM BisTrisPropane pH 8.0, BrabA.11339.a.PW27637 at 18mg/ml supplemented with 1mM GMPPNP and 2mM MgCl2 at 18mg/ml, cryo: 21% PEG 3350, 15% EG, 165mM K/Na tartrate, 87mM BisTrisPropane pH 8.0, 1mM GMPPNP, 2mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 290K |