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1DO7

CARBONMONOXY-MYOGLOBIN (MUTANT L29W) REBINDING STRUCTURE AFTER PHOTOLYSIS AT T< 180K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]105
Detector technologyAREA DETECTOR
Collection date1998-11-20
DetectorSIEMENS HI-STAR
Spacegroup nameP 6
Unit cell lengths90.430, 90.430, 45.240
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution7.000 - 1.850
R-factor0.186

*

Rwork0.186
R-free0.21400
Starting model (for MR)1do4
RMSD bond length0.007
RMSD bond angle1.100
Data reduction softwareSAINT ((SIEMENS))
Data scaling softwareSAINT ((SIEMENS))
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]7.0001.910
High resolution limit [Å]1.8501.850
Rmerge0.0460.138
Total number of observations108921

*

Number of reflections16415
<I/σ(I)>15.85.5
Completeness [%]90.376.7
Redundancy6.62.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1unknown

*

7.5

*

292CRYSTALS WERE GROWN IN 2.5M AMMONIUM SULFATE SOLUTION, BUFFERED WITH 20MM TRIS/ HCL TO PH 8.5. THE CRYSTALLIZATION SOLUTION WAS REPLACED IN STEPS AGAINST A SOLUTION CONTAINING 2.5M AMMONIUM SULFATE, 20MM TRIS, 300MG/ML TREHALOSE AT PH 8.5., BATCH CRYSTALLIZATION, temperature 292K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
111L29W MbCO20 (mM)
211glycerol75 (%)
311potassium phosphate25 (%(v/v))
412ammonium sulfate2.5 (M)
512Tris-HCl
612trehalose300 (mg/ml)

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