3QGA
3.0 A Model of Iron Containing Urease UreA2B2 from Helicobacter mustelae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-27 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 166.980, 223.940, 395.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.290 - 3.000 |
R-factor | 0.1711 |
Rwork | 0.170 |
R-free | 0.18940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ejx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.170 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.18) |
Phasing software | PHASER (2.2.4) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.292 | 67.292 | 3.160 |
High resolution limit [Å] | 2.998 | 9.490 | 3.000 |
Rmerge | 0.201 | 0.048 | 0.809 |
Total number of observations | 80296 | 102307 | |
Number of reflections | 145678 | ||
<I/σ(I)> | 9.3 | 12.7 | 0.9 |
Completeness [%] | 98.6 | 99.7 | 94.3 |
Redundancy | 8.8 | 16.2 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 6.7 mg/ml protein, 6.7 mM Tris, 20% MPD, 0.07 M sodium acetate, 0.013 M calcium chloride, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |