4YMS

Crystal structure of an amino acid ABC transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	96.096, 114.209, 302.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.536 - 2.800
R-factor	0.2279
Rwork	0.226
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhw
RMSD bond length	0.009
RMSD bond angle	1.271
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.540	2.900
High resolution limit [Å]	2.800	2.800
Rmerge		0.650
Number of reflections	37041
<I/σ(I)>	15.9	2.14
Completeness [%]	95.6	79.3
Redundancy	6.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	12% PEG4000, 0.1M NaCl, 0.1M MgCl, 0.1M Na citrate