6K8C

Crystal structure of Helicobacter pylori folylpolyglutamate synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97951
Spacegroup name	C 1 2 1
Unit cell lengths	131.454, 61.637, 69.743
Unit cell angles	90.00, 115.96, 90.00

Refinement procedure

Resolution	29.936 - 1.952
R-factor	0.185993051755
Rwork	0.184
R-free	0.21942
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.059	0.431
Rmeas	0.064	0.463
Rpim	0.024	0.169
Number of reflections	36178	1800
<I/σ(I)>	26.5	4.24
Completeness [%]	98.9	98.9
Redundancy	7.4	7.4
CC(1/2)		0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 3350, ammonium citrate