3OCX
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-21 |
Detector | NOIR-1 |
Wavelength(s) | 1.00 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 97.870, 97.870, 107.598 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.422 - 1.901 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3et4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.018 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.120 | 0.048 | 0.534 |
Number of reflections | 24575 | ||
<I/σ(I)> | 6.6 | ||
Completeness [%] | 99.9 | 100 | 98.3 |
Redundancy | 20.3 | 19.3 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 23-28% (w/v) PEG 3350, 0.05-0.2 M ammonium citrate dibasic, 0.05-0.15 mM MgCl2 , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |