8ZRZ
The 1.26 angstrom resolution structure of Bacillus cereus beta-amylase in complex with maltose
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 | 2002-11-25 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.974, 89.843, 66.035 |
Unit cell angles | 90.00, 103.09, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.260 |
Rwork | 0.124 |
R-free | 0.16450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 0.032 |
Data reduction software | HKL-2000 (v718) |
Data scaling software | HKL-2000 (v718) |
Phasing software | PHENIX (1.17.1-3660) |
Refinement software | SHELXL-97 (2018/3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.280 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.047 | 0.182 |
Rmeas | 0.054 | 0.246 |
Number of reflections | 171593 | 7029 |
<I/σ(I)> | 48.5 | 5.95 |
Completeness [%] | 99.3 | 80.5 |
Redundancy | 3.3 | 1.7 |
CC(1/2) | 0.995 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | HANGING DROP VAPOR DIFFUSION AGAINST 0.1 M PHOSPHATE BUFFER PH 6.5, 15% PEG 6000 AND 5% SATN. AMMONIUM SULFATE WITH A PROTEIN CONCENTRATION OF 15MG/ML. |