4Y7E
Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.709, 100.706, 104.737 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.462 - 1.500 |
R-factor | 0.1464 |
Rwork | 0.146 |
R-free | 0.17270 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3wsu |
RMSD bond length | 0.011 |
RMSD bond angle | 1.398 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.700 | 1.540 | |
High resolution limit [Å] | 1.450 | 4.330 | 1.450 |
Rmerge | 0.097 | 0.030 | 0.591 |
Rmeas | 0.110 | 0.033 | 0.710 |
Total number of observations | 537026 | ||
Number of reflections | 117826 | 4899 | 14802 |
<I/σ(I)> | 12.29 | 41.76 | 1.87 |
Completeness [%] | 95.4 | 99 | 75 |
Redundancy | 4.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.1M sodium malonate pH 7.0, 0.1M HEPES pH 7.0, 0.5%(v/v) Jeffamine(R) ED-2001 pH 7.0 |