4YAH

Crystal Structure of the Methionine Binding Protein, MetQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	59.650, 87.370, 112.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.490 - 1.600
R-factor	0.1557
Rwork	0.154
R-free	0.18290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p99
RMSD bond length	0.008
RMSD bond angle	1.208
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.490	24.490	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.075	0.021	1.125
Number of reflections	38555
<I/σ(I)>	11.5
Completeness [%]	98.4	96.7	96.1
Redundancy	4.1	4.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	20% PEG 4000, 3% PEG 400, 200 mM Ammonium Acetate, 100 mM Sodium Citrate, pH 5.6