3PY5
Crystal structure of a beta-lactamase-like protein from brucella melitensis bound to AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-03 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.850, 75.200, 98.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.210 - 1.700 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3md7 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.639 |
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 | 0.041 | 0.203 |
Number of reflections | 29964 | |
<I/σ(I)> | 35.24 | 7.7 |
Completeness [%] | 99.5 | 93.6 |
Redundancy | 9.1 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 5-18% PEG 3350, 200mM K/Na tartrate, 100mM BisTrisPropane pH 8.0, BrabA.11339.a.PW27637 at 18mg/ml supplemented with 1mM AMPPNP and 2mM MgCl2 at 18mg/ml. Cryo: 21% PEG 3350, 15% EG, 165mM K/Na tartrate, 87mM BisTrisPropane pH 8.0, 1mM AMPPNP, 2mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 290K |