6RS8
X-ray crystal structure of LsAA9B (transition metals soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.3499 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.160, 72.580, 78.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.370 - 1.580 |
R-factor | 0.11573 |
Rwork | 0.113 |
R-free | 0.17312 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eja |
RMSD bond length | 0.015 |
RMSD bond angle | 1.828 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.620 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmeas | 0.055 | 0.391 |
Number of reflections | 27805 | 1501 |
<I/σ(I)> | 28.46 | |
Completeness [%] | 92.4 | 72.4 |
Redundancy | 8.6 | 2.84 |
CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1M HEPES/MOPS pH 7.5 12.5 %(v/v) MPD (racemic) 12.5 %(w/v) PEG 1000 12.5 %(w/v) PEG 3350 0.02M of each of Na-formate, NH4-acetate, Na-citrate, Na/K-tartrate, Na-oxamate. |