5HML

Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	47.380, 58.380, 59.720
Unit cell angles	66.53, 79.48, 73.71

Refinement procedure

Resolution	54.600 - 1.482
R-factor	0.1433
Rwork	0.141
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ut5
RMSD bond length	0.010
RMSD bond angle	1.324
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.602	30.861	1.560
High resolution limit [Å]	1.482	4.690	1.482
Rmerge		0.029	0.491
Rmeas	0.069
Rpim	0.039	0.019	0.341
Total number of observations	264840	8696	38322
Number of reflections	87441
<I/σ(I)>	11.4	36.5	2.2
Completeness [%]	93.7	96.1	92.6
Redundancy	3	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	280	Bis-Tris propane, PEG 3350, MgCl2, NaI