4UIB

Crystal structure of 3p in complex with tafCPB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-07
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	82.530, 82.530, 95.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.410 - 1.940
R-factor	0.1664
Rwork	0.165
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PREVIOUSLY SOLVED IN-HOUSE STRUCTURE
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.400	2.050
High resolution limit [Å]	1.940	1.940
Rmerge	0.140	0.540
Number of reflections	24986
<I/σ(I)>	22.6	7.1
Completeness [%]	100.0	100
Redundancy	12.8	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		THE PURIFIED PROTEIN WAS DISSOLVED IN 50 MM TRIS-HCL, PH 7.5 AND CONCENTRATED TO 11 MG/ML. 1 UL OF PROTEIN SOLUTION WAS EQUILIBRATED AGAINST 1 UL OF RESERVOIR SOLUTIONS CONTAINING 16-20% PEG3350, 100 MM MES PH 5.5 AND 50 MM ZNACETATE.