2H19
Crystal Structure of ResA Cys77Ala Variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97620 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.196, 59.438, 110.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.000 - 2.000 |
R-factor | 0.18384 |
Rwork | 0.181 |
R-free | 0.23682 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1su9 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.597 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 21619 | |
<I/σ(I)> | 13.6 | 4 |
Completeness [%] | 99.6 | 99.2 |
Redundancy | 5.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 27 - 30 % PEG 4,000, 0.1M Sodium Citrate pH 5-5.8, 0.2 M Ammonium Acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |