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1A3E

COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1996-07-09
DetectorRIGAKU RAXIS II
Spacegroup nameC 1 2 1
Unit cell lengths71.204, 72.041, 73.012
Unit cell angles90.00, 100.93, 90.00
Refinement procedure
Resolution20.000 - 1.850
R-factor0.176

*

Rwork0.170
R-free0.22400

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1hgt
RMSD bond length0.016

*

RMSD bond angle2.245

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.920
High resolution limit [Å]1.8501.850
Rmerge0.0700.390

*

Number of reflections30363
<I/σ(I)>132.2
Completeness [%]98.597.4
Redundancy3.153
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.1520% PEG 8000, 0.05M SODIUM PHOSPHATE, PH 7.15
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG800020 (%)
21reservoir0.05 (M)
31reservoir0.05 (M)

225158

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