3R41
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Collection date | 2010-04-03 |
Wavelength(s) | 0.978700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.690, 78.100, 85.100 |
Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
Resolution | 41.390 - 1.050 |
R-factor | 0.1432 |
Rwork | 0.142 |
R-free | 0.16870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.189 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.780 | 4.700 | 1.080 |
High resolution limit [Å] | 1.050 | 3.320 | 1.050 |
Rmerge | 0.068 | 0.043 | 0.230 |
Number of reflections | 238333 | 4775 | 16201 |
<I/σ(I)> | 13.98 | 23.89 | 3.42 |
Completeness [%] | 96.7 | 93.1 | 89.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 15-24% PEG3350, 0.1-0.2M CaCl2 and 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |