3TPZ

2.1 Angstrom crystal structure of the L114P mutant of E. Coli KsgA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-11-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	239.007, 38.534, 64.752
Unit cell angles	90.00, 96.34, 90.00

Refinement procedure

Resolution	28.000 - 2.100
R-factor	0.21787
Rwork	0.211
R-free	0.27566
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyr
RMSD bond length	0.008
RMSD bond angle	1.106
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.650	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.335
Number of reflections	33415
<I/σ(I)>	12.7	4
Completeness [%]	95.0	93.9
Redundancy	3.98	3.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	protein solution: 10 mg/mL ecKsgA, 50 mM Tris, pH 7.4, 50 mM ammonium chloride, 6 mM BME, reservoir solution: 80 mM MES/sodium, pH 6.5, 25% PEG5000 MME, 0.15 M ammonium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 293K