3OJ7
Crystal structure of a histidine triad family protein from entamoeba histolytica, bound to sulfate
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 | 2010-07-31 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.976500 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.890, 61.030, 67.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.370 - 1.400 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1XQU |
RMSD bond length | 0.015 |
RMSD bond angle | 1.697 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.370 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.036 | 0.495 |
Number of reflections | 21768 | |
<I/σ(I)> | 25.27 | 3.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.03 | 7.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | INTERNAL TRACKING 216243A1. JCSG SCREEN CONDITION A1: 50% PEG400, 0.1 M ACETATE BUFFER PH 4.5, 200 MM LI2SO4, ENHIA.01296.A.A1 PS00632 AT 83.2 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |