3OCZ
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 98.179, 98.179, 107.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.286 - 1.350 |
R-factor | 0.1391 |
Rwork | 0.138 |
R-free | 0.15850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3et4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.081 |
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 | 1.400 |
High resolution limit [Å] | 1.350 | 2.910 | 1.350 |
Rmerge | 0.072 | 0.030 | 0.607 |
Number of reflections | 67160 | ||
<I/σ(I)> | 7.8 | ||
Completeness [%] | 100.0 | 99.7 | 99.9 |
Redundancy | 8.2 | 8 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 18-23 % (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 |