4BPS

Crystal structure of Chorismatase at 1.08 Angstrom resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-05
Detector	DECTRIS PILATUS
Spacegroup name	P 1 21 1
Unit cell lengths	49.139, 52.250, 52.532
Unit cell angles	90.00, 93.35, 90.00

Refinement procedure

Resolution	37.014 - 1.081
R-factor	0.1274
Rwork	0.126
R-free	0.14650
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.448
Data reduction software	XDS
Phasing software	XDS
Refinement software	PHENIX ((PHENIX.REFINE: DEV_1358))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.010	1.120
High resolution limit [Å]	1.080	1.080
Rmerge	0.060	0.240
Number of reflections	103504
<I/σ(I)>	13.8	3.77
Completeness [%]	91.2	47.2
Redundancy	3.09	1.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M MES PH6.5, 20-23% PEG 4000, HANGING DROP, VAPOUR DIFFUSION, 291 K