4A2S
Structure of the engineered retro-aldolase RA95.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-09-14 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.810, 62.810, 93.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.998 - 1.400 |
R-factor | 0.1328 |
Rwork | 0.132 |
R-free | 0.16160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lbl |
RMSD bond length | 0.013 |
RMSD bond angle | 1.546 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 150.000 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.020 | 0.870 |
Number of reflections | 62630 | |
<I/σ(I)> | 31.12 | 2.45 |
Completeness [%] | 99.3 | 95.1 |
Redundancy | 6.5 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 301 | 0.1 M HEPES KOH PH 7.6, 23% W/V PEG 3350,20 MM NA2HPO4, 28 DEG. CELSIUS. |