4Z3L
CRYSTAL STRUCTURE OF BIRCH POLLEN ALLERGEN BET V 1 MUTANT G26L, D69I, P90L, K97I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-29 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.873 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 122.290, 143.340, 148.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.020 - 2.500 |
R-factor | 0.2144 |
Rwork | 0.212 |
R-free | 0.25550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a88 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.341 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.020 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.148 | 0.692 |
Number of reflections | 45112 | |
<I/σ(I)> | 5.9 | 1.6 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.8 | 3.4 |
CC(1/2) | 0.985 | 0.576 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 25% PEG8000, 0.2 M lithium sulfate, 0.1 M HEPES pH 7.4 |